SCHEMBL980970

SCHEMBL980970

NC(=O)c1nccc(-c2ccccc2)c1-c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.40
ADORA2A P29274 1/20 0.38
PRKCI P41743 1/20 0.36
BCAT2 O15382 1/20 0.36
GSK3B P49841 2/20 0.36
CHUK O15111 2/20 0.36
CHEK2 O96017 2/20 0.36
IKBKB O14920 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
INSR P06213 2/20 0.35
MAPK8 P45983 2/20 0.35
CAMKK2 Q96RR4 1/20 0.35
MAP2K3 P46734 1/20 0.35
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
MAPK13 O15264 1/20 0.34
PDPK1 O15530 1/20 0.34
DYRK3 O43781 1/20 0.34

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
SCHEMBL980973 0.90 FYN (0.40) FYNADORA2APRKCIBCAT2CHUK
SCHEMBL251579 0.83 CHEK2 (0.40) FYNCHEK2IKBKBCDC7CHEK1
SCHEMBL2848953 0.81 ADORA2A (0.46) FYNADORA2APRKCIBCAT2CHUK
SCHEMBL251138 0.78 KDM4A (0.39) CHEK2
SCHEMBL251581 0.77 IKBKB (0.40) FYNCHEK2IKBKBCDC7CHEK1
SCHEMBL986288 0.76 FYN (0.38) FYNADORA2APRKCIBCAT2GSK3B
Formamide SCHEMBL29058737 0.76 ADORA2A (0.42) FYNADORA2APRKCIBCAT2CHUK
SCHEMBL980179 0.75 IDO1 (0.46) FYNADORA2AGSK3BCHEK2INSR
SCHEMBL251140 0.73 KDM4B (0.39) CHEK2
SCHEMBL23067311 0.72 MAP2K3 (0.50) FYNADORA2ABCAT2GSK3BCHUK

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 3268/4885PRKCI 366/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885PRKCI 366/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 FYN 552/4885ADORA2A 3246/4885PRKCI 329/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885PRKCI 366/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 FYN 515/4885ADORA2A 3127/4885PRKCI 361/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 FYN 542/4885ADORA2A 3268/4885PRKCI 366/4885

“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.