SCHEMBL3115338

SCHEMBL3115338

[c]1cccnc1-c1nccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
CYP2A6 P11509 1/20 0.39
METAP1 P53582 1/20 0.38
RAB9A P51151 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
HSP90AA1 P07900 1/20 0.34
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
FBP1 P09467 1/20 0.31
PDK1 Q15118 1/20 0.31

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
SCHEMBL751581 0.75 HDAC8 (0.33) METAP1HSP90AA1
SCHEMBL5067188 0.71 PDPK1 (0.42) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL578376 0.71 PDPK1 (0.52) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL1989627 0.71 CYP19A1 (0.41) CYP2A6RAB9AALDH1A1HSD17B10
SCHEMBL5065334 0.71 PDPK1 (0.43) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL28051835 0.71 PDPK1 (0.39) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL102331 0.69 PDPK1 (0.59) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL1671362 0.69 CYP2A6 (0.30) CYP2A6
SCHEMBL556950 0.69 PDPK1 (0.54) PDPK1CYP2A6METAP1RAB9ALOXL2
SCHEMBL28051848 0.68 PDPK1 (0.36) PDPK1CYP2A6RAB9ALOXL2HSP90AA1

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
CN-110240792-A A kind of scratch-resistant high-performance optical diffusion PC material and preparation method thereof 南通开普乐工程塑料有限公司 2019-09-17 CN claimed
CN-110669052-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2022-10-11 CN disclosed
CN-110669052-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-01-10 CN disclosed
CN-105308048-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2019-10-08 CN disclosed
CN-110240792-A A kind of scratch-resistant high-performance optical diffusion PC material and preparation method thereof 南通开普乐工程塑料有限公司 2019-09-17 CN disclosed
CN-108864093-A Substituted 2- Azabicyclic compound and their purposes as orexin receptor regulator 詹森药业有限公司 2018-11-23 CN disclosed
CN-105308048-A Substituted 2-azabicyclic compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV 2016-02-03 CN disclosed
EP-2854814-A2 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics, Inc. (US) 2015-04-08 EP disclosed
WO-2013177559-A2 HETEROARYL-KETONE FUSED AZADECALIN GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2013-11-28 WO disclosed
EP-2178873-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS ORGANON NV (NL) 2010-12-22 EP disclosed
EP-2178873-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. Organon (NL) 2010-04-28 EP disclosed
EP-1979351-B1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS ORGANON NV (NL) 2010-04-07 EP disclosed
US-7687515-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2010-03-30 US disclosed
WO-2009010491-A1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN INHIBITORS N.V. ORGANON (NL) 2009-01-22 WO disclosed
EP-1979351-A1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS N.V. Organon (NL) 2008-10-15 EP disclosed
US-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2007-08-02 US disclosed
WO-2007080191-A1 6-PHENYL-1H-IMIDAZO[4, 5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN K AND S INHIBITORS N.V. ORGANON (NL) 2007-07-19 WO 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 (1 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-20070179138-A1 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives CTSK, CTSS, CTSZ PDPK1 193/4885CYP2A6 475/4885METAP1 1202/4885

“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.