SCHEMBL3420933

SCHEMBL3420933

CC(C)(C)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 1.00
MMP3 P08254 1/20 0.52
PTPN5 P54829 1/20 0.50
EPHX2 P34913 1/20 0.50
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP19A1 P11511 2/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP11B2 P19099 1/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1G2 P78368 2/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3B P49841 1/20 0.42
CCR6 P51684 1/20 0.41
RARB P10826 1/20 0.41

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
SCHEMBL3421538 1.00 KIF11 (1.00) KIF11MMP3PTPN5EPHX2CYP2A6
SCHEMBL69655 0.93 KIF11 (0.86) KIF11PTPN5EPHX2CYP2A6ALDH1A1
SCHEMBL24617134 0.89 KIF11 (0.79) KIF11MMP3PTPN5EPHX2CYP11B2
SCHEMBL25708857 0.86 KIF11 (0.73) KIF11MMP3PTPN5EPHX2TSHR
SCHEMBL19735236 0.85 KIF11 (0.74) KIF11MMP3PTPN5EPHX2TSHR
SCHEMBL24617023 0.85 KIF11 (0.74) KIF11MMP3PTPN5EPHX2CYP2A6
SCHEMBL24617136 0.83 KIF11 (0.70) KIF11PTPN5EPHX2CYP11B2CSNK1D
SCHEMBL18118556 0.83 KIF11 (0.70) KIF11MMP3PTPN5CYP11B2
SCHEMBL24617129 0.83 KIF11 (0.70) KIF11MMP3PTPN5EPHX2CYP2A6
Tert-Butylbenzene SCHEMBL28366527 0.82 KIF11 (0.69) KIF11EPHX2CYP2A6ALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20230320205-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 US disclosed
US-20230320205-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-10-05 US disclosed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
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-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-11723271-B2 Organic compound, and electronic component and electronic device therefor SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-08 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-07-04 US disclosed
EP-2177549-B1 TRIAZINE RING-CONTAINING POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE POLYMER COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2015-11-04 EP disclosed
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-8426037-B2 Triazine ring-containing polymer compound and organic light-emitting element using the polymer compound SHOWA DENKO K.K. (JP) 2013-04-23 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
US-20100201257-A1 TRIAZINE RING-CONTAINING POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE POLYMER COMPOUND SHOWA DENKO K.K. (JP) 2010-08-12 US disclosed
EP-2177549-A1 TRIAZINE RING-CONTAINING POLYMER COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING THE POLYMER COMPOUND Showa Denko K.K. (JP) 2010-04-21 EP disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
CN-1169138-A Novel liquid crystal compound bearing dienyl moiety and liquid crystal composition CHISSO CORP (JP) 1997-12-31 CN 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 (7 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-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM KIF11 3407/4885MMP3 3419/4885PTPN5 4081/4885
US-11723271-B2 Organic compound, and electronic component and electronic device therefor OR51E2, CYP4F11, OR10J3 KIF11 1408/4885MMP3 4780/4885PTPN5 4017/4885
US-11718583-B2 Nitrogen-containing compound, electronic component using same and electronic device EXOC1, NOS1, EXOSC10 KIF11 3575/4885MMP3 4805/4885PTPN5 1147/4885
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 KIF11 3639/4885MMP3 4724/4885PTPN5 3224/4885
US-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KIF11 2752/4885MMP3 2846/4885PTPN5 3952/4885
US-20230320205-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE, AND ELECTRONIC APPARATUS NOM1, MNS1, NOS1 KIF11 3453/4885MMP3 4715/4885PTPN5 3287/4885
US-11691952-B2 Nitrogen-containing compound, and electronic element and electronic device using same NOD1, NFE2L2, NOTCH1 KIF11 4748/4885MMP3 4690/4885PTPN5 2870/4885

“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.