SCHEMBL945837

SCHEMBL945837

NC(=O)c1nccc(-c2cccnc2)c1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
MKNK1 Q9BUB5 10/20 0.47
MKNK2 Q9HBH9 9/20 0.47
IKBKB O14920 1/20 0.46
CHEK2 O96017 1/20 0.42
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
SARM1 Q6SZW1 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
SIRT5 Q9NXA8 1/20 0.41
SIRT4 Q9Y6E7 1/20 0.41
KCNH2 Q12809 1/20 0.41
NUDT1 P36639 1/20 0.40
CYP11B2 P19099 1/20 0.40
SYK P43405 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 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
SCHEMBL3971163 0.89 ADORA2A (0.41) HPGDSMKNK1IKBKBCHEK2
SCHEMBL29959318 0.83 ADORA2A (0.39) MKNK1MKNK2IKBKBCHEK2
SCHEMBL945200 0.80 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL944217 0.80 MKNK1 (0.51) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL945236 0.79 MKNK1 (0.43) HPGDSMKNK1MKNK2IKBKBCHEK2
SCHEMBL946632 0.79 KCNH2 (0.52) HPGDSMKNK1MKNK2IKBKBKCNH2
SCHEMBL945364 0.78 IKBKB (0.52) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL2572631 0.77 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL29594571 0.77 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2F7
SCHEMBL30165669 0.77 MKNK1 (0.56) MKNK1MKNK2IKBKBCHEK2F7

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 HPGDS 1457/4885MKNK1 90/4885MKNK2 94/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HPGDS 1457/4885MKNK1 90/4885MKNK2 94/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 HPGDS 1340/4885MKNK1 86/4885MKNK2 92/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HPGDS 1457/4885MKNK1 90/4885MKNK2 94/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 HPGDS 1446/4885MKNK1 89/4885MKNK2 92/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 HPGDS 1457/4885MKNK1 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.