SCHEMBL233226

SCHEMBL233226

COc1ncccc1-c1ccnc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
SCN9A Q15858 1/20 0.45
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
BTK Q06187 1/20 0.43
DHFR P00374 1/20 0.42
SQOR Q9Y6N5 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CDC7 O00311 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
DBF4 Q9UBU7 1/20 0.42

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
SCHEMBL947977 0.85 ALOX5AP (0.51) ALOX5APFEN1FFAR4MKNK1MKNK2
SCHEMBL3656843 0.82 DYRK1A (0.54) DHODHLOXL2SCN9AALOX5APFEN1
SCHEMBL945362 0.81 MKNK1 (0.63) DHODHSCN9AMKNK1MKNK2ABL1
SCHEMBL945750 0.80 SCN9A (0.55) SCN9ARORC
SCHEMBL580894 0.80 PDE10A (0.46) FEN1
SCHEMBL945199 0.79 MKNK1 (0.43) SCN9AMKNK1MKNK2
SCHEMBL558935 0.79 ALOX5AP (0.55) DHODHLOXL2ALOX5APFEN1PTGES2
SCHEMBL944527 0.78 MKNK1 (0.42) SCN9ACDC7MKNK1MKNK2
SCHEMBL944215 0.78 MKNK1 (0.44) DHODHSCN9AMKNK1MKNK2
SCHEMBL6844999 0.77 DYRK1A (0.51) DHODHLOXL2ALOX5APFEN1FFAR4

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 13 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-8440665-B2 Apoptosis signal-regulating kinase inhibitors GILEAD SCIENCES, INC. (US) 2013-05-14 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-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2012-01-05 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-20140018370-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885LOXL2 1859/4885SCN9A 4101/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885LOXL2 1859/4885SCN9A 4101/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 DHODH 4761/4885LOXL2 1797/4885SCN9A 4070/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885LOXL2 1859/4885SCN9A 4101/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 DHODH 4795/4885LOXL2 1901/4885SCN9A 4036/4885
US-20120004267-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS AIFM1, MAP3K1, RIPK3 DHODH 4780/4885LOXL2 1120/4885SCN9A 4532/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 DHODH 4780/4885LOXL2 1859/4885SCN9A 4101/4885

“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.