SCHEMBL986288

SCHEMBL986288

NC(=O)c1nccc(-c2ccccc2)c1-c1nnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.38
ADORA2A P29274 1/20 0.38
CYP3A4 P08684 2/20 0.37
PRKCI P41743 1/20 0.36
BCAT2 O15382 1/20 0.36
CSNK1A1 P48729 2/20 0.36
TYRO3 Q06418 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
IKBKB O14920 4/20 0.36
CHUK O15111 2/20 0.36
PRKD3 O94806 2/20 0.35
PAK4 O96013 2/20 0.35
CSF1R P07333 2/20 0.35
FGFR1 P11362 2/20 0.35
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
MAPK8 P45983 2/20 0.35
CLK2 P49760 2/20 0.35
RPS6KA3 P51812 2/20 0.35
PRKX P51817 2/20 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
SCHEMBL986290 0.90 DYRK1B (0.39) FYNADORA2ACYP3A4PRKCIBCAT2
SCHEMBL2848953 0.81 ADORA2A (0.46) FYNADORA2APRKCIBCAT2DYRK1B
SCHEMBL15153060 0.79 CHEK2 (0.36) ADORA2ALRRK2CHEK2
SCHEMBL980179 0.78 IDO1 (0.46) FYNADORA2ACYP3A4PRKD3PAK4
SCHEMBL980970 0.76 FYN (0.40) FYNADORA2ACYP3A4PRKCIBCAT2
Formamide SCHEMBL29058737 0.76 ADORA2A (0.42) FYNADORA2APRKCIBCAT2DYRK1B
SCHEMBL4408031 0.76 CCNC (0.32) PRKCIJAK3JAK2CDK8
SCHEMBL978876 0.75 IKBKB (0.33) ADORA2AIKBKBCHUKJAK3JAK2
SCHEMBL980181 0.74 IDO1 (0.47) FYNADORA2ACYP3A4CSF1RCDK8
SCHEMBL15153064 0.73 CHEK2 (0.36) ADORA2ACSNK1A1TYRO3DYRK1BLRRK2

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 FYN 542/4885ADORA2A 3268/4885CYP3A4 3926/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885CYP3A4 3926/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 FYN 552/4885ADORA2A 3246/4885CYP3A4 3824/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885CYP3A4 3926/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 FYN 515/4885ADORA2A 3127/4885CYP3A4 3618/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885CYP3A4 3926/4885

“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.