SCHEMBL944068

SCHEMBL944068

NC(=O)c1cccc(-c2cnc3ccccc3c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1G2 P78368 2/20 0.74
CLK4 Q9HAZ1 2/20 0.74
MAP4K4 O95819 1/20 0.74
MKNK2 Q9HBH9 1/20 0.74
MAP4K5 Q9Y4K4 1/20 0.74
CCNT1 O60563 1/20 0.63
CCND1 P24385 1/20 0.63
CCNC P24863 1/20 0.63
CDK8 P49336 1/20 0.63
CDK7 P50613 1/20 0.63
CDK9 P50750 1/20 0.63
CCNH P51946 1/20 0.63
MNAT1 P51948 1/20 0.63
CDK6 Q00534 1/20 0.63
BIRC5 O15392 1/20 0.57
FYN P06241 3/20 0.54
CHEK2 O96017 2/20 0.54
KDR P35968 2/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54

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
SCHEMBL31187396 0.86 MKNK2 (0.56) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL30108206 0.85 MKNK2 (0.58) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL18943848 0.85 MAP4K4 (1.00) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL26613435 0.85 CA12 (0.60) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL947559 0.81 CCNT1 (0.54) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL3113403 0.81 KMT2A (0.64) JAK3
SCHEMBL30323720 0.81 BIRC5 (0.77) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL27631118 0.81 BIRC5 (0.77) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL944311 0.79 PDGFRB (0.58) CSNK1G2CLK4MAP4K4MKNK2MAP4K5
SCHEMBL29362497 0.79 MGAM (0.71) CSNK1G2CLK4MAP4K4MKNK2MAP4K5

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 15 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-8642788-B2 Activators of executioner procaspases 3, 6 and 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-04 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-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 US disclosed
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-2237784-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 The Regents of the University of California (US) 2010-10-13 EP disclosed
WO-2009089508-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-16 WO 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 CSNK1G2 725/4885CLK4 1767/4885MAP4K4 115/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1G2 725/4885CLK4 1767/4885MAP4K4 115/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 CSNK1G2 654/4885CLK4 1829/4885MAP4K4 120/4885
US-20110021522-A1 ACTIVATORS OF EXECUTIONER PROCASPASES 3, 6 AND 7 CASP7, CASP3, CASP6 CSNK1G2 3682/4885CLK4 4199/4885MAP4K4 2317/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1G2 725/4885CLK4 1767/4885MAP4K4 115/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 CSNK1G2 658/4885CLK4 1634/4885MAP4K4 107/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 CSNK1G2 725/4885CLK4 1767/4885MAP4K4 115/4885

“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.