SCHEMBL945260

SCHEMBL945260

CSc1ncccc1-c1ccnc(C(N)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.43
MKNK2 Q9HBH9 3/20 0.41
MKNK1 Q9BUB5 2/20 0.41
PLK4 O00444 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
INSR P06213 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1D P48730 1/20 0.40
CLK2 P49760 1/20 0.40
IRAK1 P51617 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP4K2 Q12851 1/20 0.40

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
SCHEMBL945598 0.82 FFAR4 (0.39) ARMKNK2MKNK1DYRK1ATGFBR1
SCHEMBL945362 0.81 MKNK1 (0.63) MKNK2MKNK1PIM1TGFBR1CCNC
SCHEMBL944215 0.81 MKNK1 (0.44) MKNK2MKNK1DYRK1ATGFBR1MAPT
SCHEMBL944044 0.80 MKNK1 (0.41) ARMKNK2MKNK1DYRK1ATGFBR1
SCHEMBL946824 0.80 MKNK1 (0.41) ARMKNK2MKNK1TGFBR1KDM4E
SCHEMBL945199 0.79 MKNK1 (0.43) MKNK2MKNK1TGFBR1KDM4ECCNC
SCHEMBL944527 0.78 MKNK1 (0.42) ARMKNK2MKNK1TGFBR1CCNC
SCHEMBL233226 0.77 DHODH (0.46) MKNK2MKNK1
SCHEMBL947434 0.75 MKNK1 (0.40) MKNK2MKNK1TGFBR1LMNAKDM4E
SCHEMBL934339 0.74 DHODH (0.46) MKNK2MKNK1TGFBR1KMT2A

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 AR 3009/4885MKNK2 94/4885MKNK1 90/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 AR 3009/4885MKNK2 94/4885MKNK1 90/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 AR 3111/4885MKNK2 92/4885MKNK1 86/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 AR 3009/4885MKNK2 94/4885MKNK1 90/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 AR 2886/4885MKNK2 92/4885MKNK1 89/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 AR 3009/4885MKNK2 94/4885MKNK1 90/4885

“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.