SCHEMBL945016

SCHEMBL945016

NC(=O)c1ncccc1-c1cnc2[nH]ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 8/20 0.60
CDK7 P50613 2/20 0.60
CCNT1 O60563 1/20 0.60
CCND1 P24385 1/20 0.60
CCNC P24863 1/20 0.60
CDK9 P50750 1/20 0.60
CCNH P51946 1/20 0.60
MNAT1 P51948 1/20 0.60
CDK6 Q00534 1/20 0.60
RIPK1 Q13546 2/20 0.59
FEN1 P39748 6/20 0.55
ALOX5AP P20292 4/20 0.55
NUDT1 P36639 1/20 0.51
PLK4 O00444 1/20 0.50
DCLK1 O15075 1/20 0.50
ROCK2 O75116 1/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PAK4 O96013 1/20 0.50
CHEK2 O96017 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
SCHEMBL4128040 0.82 CDK8 (0.62) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL945663 0.80 PIK3C3 (0.46) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL935555 0.77 CYP2A6 (0.49) MAP4K4PDGFRBPDGFRACSNK1G2CLK4
SCHEMBL15730259 0.77 FEN1 (0.57) CDK8CDK7RIPK1FEN1ALOX5AP
SCHEMBL299518 0.75 CDK8 (1.00) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL29479416 0.75 CDK8 (0.61) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL30368585 0.75 CDK8 (1.00) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL18853774 0.75 FEN1 (0.58) CDK8CDK7RIPK1FEN1ALOX5AP
SCHEMBL15617183 0.74 NUDT1 (0.51) CDK8CDK7CCNT1CCND1CCNC
SCHEMBL858525 0.74 RIPK1 (1.00) CDK8CDK7CCNT1CCND1CCNC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
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 (7 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CDK8 1174/4885CDK7 1901/4885CCNT1 3769/4885
US-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CDK8 248/4885CDK7 258/4885CCNT1 1122/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CDK8 248/4885CDK7 258/4885CCNT1 1122/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CDK8 234/4885CDK7 247/4885CCNT1 1100/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CDK8 248/4885CDK7 258/4885CCNT1 1122/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 CDK8 254/4885CDK7 244/4885CCNT1 1040/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CDK8 248/4885CDK7 258/4885CCNT1 1122/4885

“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.