SCHEMBL944319

SCHEMBL944319

Cc1ncn(-c2ccnc(C(N)=O)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ MC3R P41968 1/20 0.35
▸ CCNC P24863 3/20 0.35
▸ CDK8 P49336 3/20 0.35
▸ LCK P06239 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ OPRM1 P35372 4/20 0.33
▸ SIK1 P57059 1/20 0.33
▸ SIK2 Q9H0K1 1/20 0.33
▸ SIK3 Q9Y2K2 1/20 0.33

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
SCHEMBL946120 0.79 PARP1 (0.51) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL947624 0.73 CYP2E1 (0.45) CYP1A2CYP2D6CCNCCDK8PDE3B
SCHEMBL15076929 0.71 LMNA (0.47) CYP1A2NTRK1PIM1
SCHEMBL946000 0.71 PDE3B (0.43) OPRM1PDE3BPDE3A
SCHEMBL29503141 0.71 CCR1 (0.52) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL106576 0.71 CCR1 (0.52) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL15072237 0.70 COMT (0.37) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL946421 0.70 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP2D6HPGDHIF1A
SCHEMBL15072736 0.70 L3MBTL1 (0.49) ALDH1A1HPGD
Hydrochloric Acid SCHEMBL27602050 0.70 CCR1 (0.50) ADORA3TSHRMC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2017-07-13 — — US disclosed
US-9586932-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 — — US disclosed
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2016-05-12 — — US disclosed
US-9067933-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2015-06-30 — — US disclosed
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. 2014-01-16 — — US disclosed
US-8598360-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-12-03 — — US disclosed
US-8552196-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-10-08 — — US disclosed
US-8378108-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-02-19 — — US disclosed
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC (US) 2013-02-07 — — US disclosed
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2013-01-10 — — US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 — — 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 (6 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ALDH1A1 4337/4885CYP1A2 3806/4885CYP2D6 3210/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ALDH1A1 4158/4885CYP1A2 3578/4885CYP2D6 2990/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ALDH1A1 4244/4885CYP1A2 3871/4885CYP2D6 3287/4885

“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.

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