SCHEMBL7809372

SCHEMBL7809372

CC(C)(C)c1cncc(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.52
ATM Q13315 1/20 0.45
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
CHRNA7 P36544 1/20 0.41
FDPS P14324 3/20 0.40
CYP19A1 P11511 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
NOTUM Q6P988 1/20 0.38
MEN1 O00255 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15496366 0.85 KIF11 (0.68) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL21880899 0.83 KIF11 (0.66) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL21881606 0.83 KIF11 (0.66) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL21880902 0.83 KIF11 (0.66) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL16404622 0.80 KIF11 (0.54) KIF11ATMCYP11B1CYP11B2MKNK1
SCHEMBL16903680 0.79 KIF11 (0.52) KIF11CYP11B1CYP11B2CHRNB4CHRNA3
SCHEMBL12458881 0.79 CYP19A1 (0.38) KIF11ATMCYP11B1CYP11B2CYP19A1
SCHEMBL29750736 0.79 XDH (0.38) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL23928359 0.78 KIF11 (0.69) KIF11CYP11B1CYP11B2MKNK1MKNK2
SCHEMBL18120003 0.78 RAB9A (0.58) CYP11B1CYP11B2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230139393-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT USING SAME AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20230139393-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT USING SAME AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-05-04 US disclosed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US disclosed
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2021-02-23 US disclosed
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-08-27 US disclosed
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2020-05-26 US disclosed
US-10479797-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2019-11-19 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-7741281-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-22 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107624-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885ATM 2487/4885CYP11B1 2659/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 KIF11 3410/4885ATM 2866/4885CYP11B1 1440/4885
US-10479797-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 KIF11 4216/4885ATM 4491/4885CYP11B1 125/4885
US-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP KIF11 4212/4885ATM 4493/4885CYP11B1 2861/4885
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM KIF11 3407/4885ATM 2086/4885CYP11B1 3598/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ KIF11 3633/4885ATM 4764/4885CYP11B1 3483/4885
US-20080107624-A1 Inhibitors of Hepatitis C Virus HAVCR2, MRPS23, HCCS KIF11 4204/4885ATM 4384/4885CYP11B1 3478/4885
US-20230139393-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT USING SAME AND ELECTRONIC DEVICE EXOC1, NOS1, EXOSC10 KIF11 3575/4885ATM 1546/4885CYP11B1 3358/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 KIF11 3578/4885ATM 2487/4885CYP11B1 2659/4885
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device EXOC1, NOS1, EXOSC10 KIF11 3575/4885ATM 1546/4885CYP11B1 3358/4885
US-10927123-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 KIF11 4216/4885ATM 4491/4885CYP11B1 125/4885
US-10662200-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 KIF11 4216/4885ATM 4491/4885CYP11B1 125/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP KIF11 4212/4885ATM 4493/4885CYP11B1 2861/4885
US-20200270264-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 KIF11 4216/4885ATM 4491/4885CYP11B1 125/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM KIF11 3407/4885ATM 2086/4885CYP11B1 3598/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 KIF11 4426/4885ATM 4832/4885CYP11B1 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.