SCHEMBL947559

SCHEMBL947559

NC(=O)c1cccc(-c2cnc3cccnc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.54
CCND1 P24385 1/20 0.54
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
MNAT1 P51948 1/20 0.54
CDK6 Q00534 1/20 0.54
FYN P06241 4/20 0.50
CHEK2 O96017 3/20 0.50
CSNK1G2 P78368 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
FLT1 P17948 2/20 0.50
PIM1 P11309 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
CDC7 O00311 1/20 0.50
PLK4 O00444 1/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50

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
SCHEMBL944068 0.81 CSNK1G2 (0.74) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL1198665 0.80 F7 (0.47) MKNK2HPGDSMKNK1
SCHEMBL30628188 0.80 F7 (0.47) MKNK2HPGDSMKNK1
SCHEMBL1679121 0.79 FYN (0.57) CCNT1CCND1CCNCCDK8CDK7
Hydrochloric Acid SCHEMBL14966719 0.79 F7 (0.46) MKNK2HPGDSMKNK1
SCHEMBL27983454 0.78 PRKCI (0.48) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL3113403 0.77 KMT2A (0.64) JAK3
SCHEMBL4631461 0.76 PRKCI (0.54) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL31422694 0.76 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7
SCHEMBL2431097 0.76 PARP1 (0.64) CCNT1CCND1CCNCCDK8CDK7

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 CCNT1 1122/4885CCND1 1240/4885CCNC 1522/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CCNT1 1122/4885CCND1 1240/4885CCNC 1522/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CCNT1 1100/4885CCND1 1191/4885CCNC 1494/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CCNT1 1122/4885CCND1 1240/4885CCNC 1522/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 CCNT1 1040/4885CCND1 1163/4885CCNC 1559/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CCNT1 1122/4885CCND1 1240/4885CCNC 1522/4885

“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.