SCHEMBL986590

SCHEMBL986590

NC(=O)c1cccc(-c2nnc[nH]2)c1-c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GRM5 P41594 2/20 0.46
PARP1 P09874 5/20 0.46
DHODH Q02127 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NUDT1 P36639 1/20 0.40
BCAT2 O15382 1/20 0.39
CDC7 O00311 1/20 0.38
BTK Q06187 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
AURKA O14965 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL986588 0.94 CSNK1A1 (0.46) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL20544704 0.84 BTK (0.44) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL29503449 0.82 CSNK1A1 (0.58) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL2943452 0.79 GRM5 (0.54) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL20770802 0.78 CSNK1A1 (0.66) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL31249984 0.74 GRM5 (0.64) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL31249988 0.74 GRM5 (0.64) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL29506339 0.74 GRM5 (0.64) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL997865 0.74 GRM5 (0.64) CSNK1A1TYRO3DYRK1BGRM5PARP1
SCHEMBL2476969 0.74 KDM4E (0.50) BTKKDM4EALDH1A1HPGDHSD17B10

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 CSNK1A1 503/4885TYRO3 656/4885DYRK1B 861/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1A1 503/4885TYRO3 656/4885DYRK1B 861/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CSNK1A1 450/4885TYRO3 716/4885DYRK1B 914/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1A1 503/4885TYRO3 656/4885DYRK1B 861/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 CSNK1A1 440/4885TYRO3 582/4885DYRK1B 802/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1A1 503/4885TYRO3 656/4885DYRK1B 861/4885

“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.