SCHEMBL10271979

SCHEMBL10271979

CCc1cncc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.54
CYP11B2 P19099 5/20 0.54
FDPS P14324 2/20 0.53
ATM Q13315 1/20 0.45
TP53 P04637 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
BCL2 P10415 1/20 0.42
PDE10A Q9Y233 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
IDO1 P14902 1/20 0.41
CHRNA7 P36544 1/20 0.41
CYP3A4 P08684 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL16118323 0.85 CYP2A6 (0.56) CYP11B1CYP11B2TP53MKNK1MKNK2
SCHEMBL16135139 0.85 CYP11B1 (0.51) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL13177775 0.83 CYP1A1 (0.45) CYP11B1CYP11B2FDPSPRMT5WDR77
SCHEMBL18174623 0.81 PRMT5 (0.46) CYP11B1CYP11B2FDPSMKNK1MKNK2
SCHEMBL17826987 0.81 MAP4K4 (0.47) CYP11B1CYP11B2MKNK1MKNK2PRMT5
SCHEMBL16135138 0.81 GPR55 (0.59) CYP11B1CYP11B2PRMT5WDR77GPR55
SCHEMBL11625059 0.80 MEN1 (0.54) CYP11B1CYP11B2MKNK1MKNK2PRMT5
SCHEMBL20178543 0.80 CTSS (0.43) CYP11B1CYP11B2PRMT5WDR77BCL2
SCHEMBL5021664 0.80 FDPS (0.57) CYP11B1CYP11B2FDPSATMMKNK1
SCHEMBL2646363 0.80 CYP11B1 (0.54) CYP11B1CYP11B2FDPSATMMKNK1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3301097-B1 [1]BENZOTHIENO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) SAMSUNG DISPLAY CO LTD (KR) 2020-08-19 EP disclosed
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-31 US disclosed
US-9205087-B1 6-Piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-08 US disclosed
US-9199969-B1 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-12-01 US disclosed
US-9145388-B2 6-piperazinyl-3,4-dihydroquinazolin-2(1H)-ones KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-09-29 US disclosed
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-08-20 US disclosed
US-9073900-B2 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2015-07-07 US disclosed
US-20150094467-A1 DIHYDROQUINONE DERIVATIVES OF PIPERIDINE AND PIPERAZINE KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-04-02 US disclosed
US-8916704-B1 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-12-23 US disclosed
US-8901304-B1 Benzo[D]imidazole derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-12-02 US disclosed
US-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-10-02 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 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-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 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 (8 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 CYP11B1 2659/4885CYP11B2 2940/4885FDPS 3273/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 CYP11B1 1440/4885CYP11B2 1428/4885FDPS 4026/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP11B1 2659/4885CYP11B2 2940/4885FDPS 3273/4885
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 CYP11B1 3483/4885CYP11B2 3849/4885FDPS 4117/4885
US-20140296528-A1 4-ARYL-1-(BIARYLMETHYLENE) PIPERIDINE COMPOUNDS HTR2C, HTR3C, HTR1D CYP11B1 1826/4885CYP11B2 1704/4885FDPS 4082/4885
US-20150094467-A1 DIHYDROQUINONE DERIVATIVES OF PIPERIDINE AND PIPERAZINE HTR2C, HTR5A, HTR2A CYP11B1 1956/4885CYP11B2 1344/4885FDPS 3996/4885
US-20150374695-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B CYP11B1 2010/4885CYP11B2 910/4885FDPS 4520/4885
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B CYP11B1 2010/4885CYP11B2 910/4885FDPS 4520/4885

“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.