SCHEMBL15344151

SCHEMBL15344151

Cc1cncc(-c2ccc3c(cnn3C)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
APP P05067 1/20 0.44
TGFBR1 P36897 9/20 0.43
MAPK14 Q16539 6/20 0.43
SRC P12931 2/20 0.42
AR P10275 2/20 0.41

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
SCHEMBL15341092 0.85 TRPA1 (0.46) TRPA1CCNCCDK8APPSRC
SCHEMBL13680555 0.83 TGFBR1 (0.55) TRPA1TGFBR1MAPK14
SCHEMBL15340894 0.82 TRPA1 (0.44) TRPA1CCNCCDK8APPSRC
SCHEMBL15341093 0.82 CYP11B2 (0.50) TRPA1CYP11B1CYP11B2CCNCCDK8
SCHEMBL15344154 0.79 TRPA1 (0.46) TRPA1CCNCCDK8APPTGFBR1
SCHEMBL15344153 0.78 TRPA1 (0.48) TRPA1CYP11B1CYP11B2CCNCCDK8
SCHEMBL15345120 0.77 TRPA1 (0.47) TRPA1CYP11B2CCNCCDK8APP
SCHEMBL15345066 0.77 TRPA1 (0.47) TRPA1CCNCCDK8APPTGFBR1
SCHEMBL15345171 0.77 TRPA1 (0.47) TRPA1CCNCCDK8APPTGFBR1
SCHEMBL15344156 0.77 CCR1 (0.47) TRPA1CCNCCDK8APPTGFBR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885CYP11B1 10/4885CYP11B2 21/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885CYP11B1 20/4885CYP11B2 19/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885CYP11B1 20/4885CYP11B2 19/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885CYP11B1 10/4885CYP11B2 21/4885

“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.