SCHEMBL944044

SCHEMBL944044

CN(C)c1ncccc1-c1ccnc(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
METAP2 P50579 1/20 0.39
POLB P06746 1/20 0.38
CDK8 P49336 2/20 0.37
CCNC P24863 1/20 0.37
TGFBR1 P36897 2/20 0.37
DYRK1A Q13627 1/20 0.36
CNR2 P34972 1/20 0.36
ACHE P22303 1/20 0.35
CDC7 O00311 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
SCN9A Q15858 2/20 0.35
FYN P06241 1/20 0.35
AR P10275 1/20 0.35
HTT P42858 1/20 0.35

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 0.81 MKNK1 (0.44) MKNK1MKNK2TGFBR1DYRK1ASCN9A
SCHEMBL945362 0.81 MKNK1 (0.63) MKNK1MKNK2METAP2CDK8CCNC
SCHEMBL945260 0.80 AR (0.43) MKNK1MKNK2KDM4EALDH1A1CDK8
SCHEMBL945199 0.79 MKNK1 (0.43) MKNK1MKNK2KDM4ECDK8CCNC
SCHEMBL944527 0.78 MKNK1 (0.42) MKNK1MKNK2CDK8CCNCTGFBR1
SCHEMBL233226 0.77 DHODH (0.46) MKNK1MKNK2METAP2CDC7CCNE1
SCHEMBL946824 0.77 MKNK1 (0.41) MKNK1MKNK2KDM4EALDH1A1CDK8
SCHEMBL947434 0.75 MKNK1 (0.40) MKNK1MKNK2KDM4EALDH1A1CDK8
SCHEMBL934339 0.74 DHODH (0.46) MKNK1MKNK2METAP2TGFBR1SCN9A
SCHEMBL947977 0.74 ALOX5AP (0.51) MKNK1MKNK2METAP2

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.