SCHEMBL945663

SCHEMBL945663

NC(=O)c1ncccc1-c1cnc2cc[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.46
HSP90AA1 P07900 1/20 0.46
LCK P06239 1/20 0.41
BTK Q06187 1/20 0.41
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
BRD4 O60885 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
METAP2 P50579 1/20 0.38
PI4K2A Q9BTU6 2/20 0.38
IDH1 O75874 1/20 0.37
ATR Q13535 2/20 0.37
PRKCI P41743 1/20 0.37
LRRK2 Q5S007 1/20 0.37
CCNT1 O60563 1/20 0.36
CCND1 P24385 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL946135 0.80 MKNK1 (0.43) MKNK1MKNK2METAP2EIF4E
SCHEMBL945016 0.80 CDK8 (0.60) PIK3C3HSP90AA1ALOX5APFEN1MKNK2
SCHEMBL15296389 0.78 BTK (0.70) PIK3C3HSP90AA1LCKBTKALOX5AP
SCHEMBL935555 0.77 CYP2A6 (0.49) HSP90AA1MKNK2
SCHEMBL15730145 0.77 BRD4 (0.53) PIK3C3HSP90AA1ALOX5APFEN1BRD4
SCHEMBL20371410 0.75 BRD4 (0.45) PIK3C3HSP90AA1ALOX5APFEN1BRD4
SCHEMBL946450 0.74 PDE4B (0.43) MKNK1MKNK2METAP2EIF4E
SCHEMBL4560363 0.72 MKNK1 (0.50) BRD4MKNK1MKNK2EIF4E
SCHEMBL5613755 0.71 MAPK1 (0.46) PIK3C3BRD4CCNT1CCND1CCNC
SCHEMBL31508289 0.71 MAPK1 (0.46) PIK3C3BRD4CCNT1CCND1CCNC

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 PIK3C3 1223/4885HSP90AA1 1797/4885LCK 167/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PIK3C3 1223/4885HSP90AA1 1797/4885LCK 167/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 PIK3C3 1162/4885HSP90AA1 1888/4885LCK 159/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PIK3C3 1223/4885HSP90AA1 1797/4885LCK 167/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 PIK3C3 1114/4885HSP90AA1 1912/4885LCK 169/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 PIK3C3 1223/4885HSP90AA1 1797/4885LCK 167/4885

“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.