SCHEMBL945199

SCHEMBL945199

NC(=O)c1cc(-c2cccnc2O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.43
MKNK2 Q9HBH9 3/20 0.43
KDM4E B2RXH2 2/20 0.40
TGFBR1 P36897 7/20 0.39
HTR2B P41595 1/20 0.39
TGFBR2 P37173 2/20 0.38
SCN9A Q15858 2/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKCI P41743 1/20 0.36
OPRM1 P35372 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
SCHEMBL944215 0.83 MKNK1 (0.44) MKNK1MKNK2TGFBR1TGFBR2SCN9A
SCHEMBL945362 0.83 MKNK1 (0.63) MKNK1MKNK2TGFBR1TGFBR2SCN9A
SCHEMBL944527 0.80 MKNK1 (0.42) MKNK1MKNK2TGFBR1SCN9ACCNC
SCHEMBL945260 0.79 AR (0.43) MKNK1MKNK2KDM4ETGFBR1CCNC
SCHEMBL233226 0.79 DHODH (0.46) MKNK1MKNK2SCN9A
SCHEMBL946824 0.79 MKNK1 (0.41) MKNK1MKNK2KDM4ETGFBR1CCNC
SCHEMBL934339 0.79 DHODH (0.46) MKNK1MKNK2TGFBR1SCN9ASCN10A
SCHEMBL944044 0.79 MKNK1 (0.41) MKNK1MKNK2KDM4ETGFBR1SCN9A
SCHEMBL945835 0.78 PDE10A (0.42) MKNK1MKNK2TGFBR1CCNCCDK8
SCHEMBL947434 0.77 MKNK1 (0.40) MKNK1MKNK2KDM4ETGFBR1SCN9A

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 MKNK1 90/4885MKNK2 94/4885KDM4E 2485/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MKNK1 90/4885MKNK2 94/4885KDM4E 2485/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 MKNK1 86/4885MKNK2 92/4885KDM4E 2391/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MKNK1 90/4885MKNK2 94/4885KDM4E 2485/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 MKNK1 89/4885MKNK2 92/4885KDM4E 2486/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 MKNK1 90/4885MKNK2 94/4885KDM4E 2485/4885

“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.