SCHEMBL945752

SCHEMBL945752

NC(=O)c1nccc(-c2cccnc2)c1OCC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MKNK1 Q9BUB5 8/20 0.42
MKNK2 Q9HBH9 8/20 0.42
IKBKB O14920 1/20 0.41
CFTR P13569 1/20 0.41
CHEK2 O96017 1/20 0.39
SCN9A Q15858 4/20 0.38
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
GSK3B P49841 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL945825 0.81 MKNK1 (0.47) SMN1; SMN2MKNK1MKNK2IKBKBCFTR
SCHEMBL233227 0.81 MKNK1 (0.53) MKNK1MKNK2IKBKBCHEK2
SCHEMBL944295 0.80 MKNK1 (0.43) SMN1; SMN2MKNK1MKNK2IKBKBCHEK2
SCHEMBL947978 0.78 MKNK1 (0.53) MKNK1MKNK2IKBKBCHEK2KCNH2
SCHEMBL944217 0.77 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2KCNH2
SCHEMBL945200 0.74 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2
SCHEMBL945364 0.73 IKBKB (0.52) MKNK1MKNK2IKBKBCHEK2
SCHEMBL946827 0.73 MKNK1 (0.47) MKNK1MKNK2IKBKBCHEK2
SCHEMBL946085 0.72 MKNK1 (0.43) MKNK1MKNK2IKBKBCHEK2
SCHEMBL29594571 0.72 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2

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 9 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-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 (5 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-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SMN1; SMN2 1575/4885MKNK1 90/4885MKNK2 94/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 SMN1; SMN2 1635/4885MKNK1 86/4885MKNK2 92/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SMN1; SMN2 1575/4885MKNK1 90/4885MKNK2 94/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 SMN1; SMN2 1552/4885MKNK1 89/4885MKNK2 92/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 SMN1; SMN2 1575/4885MKNK1 90/4885MKNK2 94/4885

“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.