SCHEMBL979251

SCHEMBL979251

O=C(Nc1ccccc1)c1ncccc1-n1ccnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 3/20 0.50
PRKCI P41743 2/20 0.46
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 1/20 0.43
RAB9A P51151 2/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA1 P78396 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
HTT P42858 1/20 0.41
KDR P35968 1/20 0.41
GRM4 Q14833 1/20 0.40
EGFR P00533 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
SCHEMBL252955 0.85 HCRTR1 (0.43) ATRPRKCIKDM4EHCRTR1HCRTR2
SCHEMBL6429865 0.82 NPC1 (0.55) PRKCIMEN1ALDH1A1GAAMAPT
SCHEMBL251660 0.80 NPC1 (0.51) RAB9A
SCHEMBL16826513 0.79 HCRTR1 (0.42) ALDH1A1GAAMAPTKDM4EHCRTR1
SCHEMBL18039131 0.79 HCRTR1 (0.44) ALDH1A1MAPTKDM4EHCRTR1HCRTR2
SCHEMBL1900468 0.76 GRM4 (0.53) ATRPRKCIMEN1ALDH1A1GAA
SCHEMBL13201028 0.73 ATR (0.61) ATRPRKCIMEN1ALDH1A1GAA
SCHEMBL938982 0.72 GRM4 (0.69) ATRPRKCIMEN1ALDH1A1GAA
SCHEMBL5936350 0.72 HTT (0.60) ATRPRKCIMEN1ALDH1A1GAA
SCHEMBL7974510 0.72 ATR (0.59) ATRPRKCIMEN1ALDH1A1GAA

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 ATR 283/4885PRKCI 366/4885MEN1 3251/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ATR 283/4885PRKCI 366/4885MEN1 3251/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 ATR 302/4885PRKCI 329/4885MEN1 3305/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ATR 283/4885PRKCI 366/4885MEN1 3251/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 ATR 261/4885PRKCI 361/4885MEN1 3166/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 ATR 283/4885PRKCI 366/4885MEN1 3251/4885

“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.