SCHEMBL980181

SCHEMBL980181

NC(=O)c1nccc(-c2cnc[nH]2)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.47
CYP3A4 P08684 2/20 0.47
HPGDS O60760 1/20 0.44
CYP2E1 P05181 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAP2 P11137 1/20 0.40
CDC7 O00311 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
HASPIN Q8TF76 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
FYN P06241 1/20 0.38
PARP1 P09874 1/20 0.38
CSF1R P07333 1/20 0.38
ADORA2A P29274 1/20 0.38
LTA4H P09960 1/20 0.38

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
SCHEMBL980179 0.91 IDO1 (0.46) IDO1CYP3A4HPGDSCYP2E1CYP2D6
SCHEMBL2848953 0.81 ADORA2A (0.46) MAP2FYNADORA2A
SCHEMBL986290 0.79 DYRK1B (0.39) CYP3A4MAP2CDC7CCNCCDK8
Formamide SCHEMBL29058737 0.76 ADORA2A (0.42) MAP2FYNADORA2A
SCHEMBL986288 0.74 FYN (0.38) CYP3A4CDC7CDK8FYNCSF1R
SCHEMBL23067310 0.72 MAP2K3 (0.50) CYP3A4CYP2C9MAP2CDC7ADORA2A
SCHEMBL19900630 0.71 MAP2K1 (0.38) CYP3A4CYP2D6CYP2C9CYP2C19MAP2
SCHEMBL980970 0.71 FYN (0.40) CYP3A4CDC7FYNCSF1RADORA2A
Benzamide SCHEMBL27802955 0.70 CYP3A4 (0.47) IDO1CYP3A4HPGDSCYP2C19FYN
SCHEMBL4340971 0.69 CDC7 (0.36) MAP2CDC7CSF1R

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 IDO1 3087/4885CYP3A4 3926/4885HPGDS 1457/4885
US-20170196844-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IDO1 3087/4885CYP3A4 3926/4885HPGDS 1457/4885
US-20110009410-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, AIFM1 IDO1 2957/4885CYP3A4 3824/4885HPGDS 1340/4885
US-20160130251-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IDO1 3087/4885CYP3A4 3926/4885HPGDS 1457/4885
US-20130035339-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, MAP3K6 IDO1 2881/4885CYP3A4 3618/4885HPGDS 1446/4885
US-20130012521-A1 APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS BAX, CASP1, CASP6 IDO1 3087/4885CYP3A4 3926/4885HPGDS 1457/4885

“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.