SCHEMBL15344154

SCHEMBL15344154

Cc1cc(-c2ccc3c(cnn3C)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
SRC P12931 2/20 0.46
APP P05067 1/20 0.42
FAAH O00519 2/20 0.41
KDM1A O60341 1/20 0.41
POLQ O75417 1/20 0.41
USP7 Q93009 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
AR P10275 2/20 0.40
TGFBR1 P36897 4/20 0.40
MAPK14 Q16539 4/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
SYK P43405 1/20 0.39
CDC7 O00311 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39

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
SCHEMBL21871251 0.84 TRPA1 (0.45) TRPA1SRCAPPFAAHKDM1A
SCHEMBL15340898 0.82 KDM5B (0.46) TRPA1SRCAPPFAAHKDM1A
SCHEMBL15345066 0.81 TRPA1 (0.47) TRPA1SRCAPPFAAHKDM1A
SCHEMBL15344156 0.81 CCR1 (0.47) TRPA1SRCAPPFAAHKDM1A
SCHEMBL15344151 0.79 TRPA1 (0.48) TRPA1SRCAPPARTGFBR1
SCHEMBL15345075 0.79 TRPA1 (0.48) TRPA1SRCAPPFAAHPOLQ
SCHEMBL13680555 0.78 TGFBR1 (0.55) TRPA1TGFBR1MAPK14
SCHEMBL15345061 0.77 TRPA1 (0.47) TRPA1SRCAPPKDM1AUSP7
SCHEMBL15345107 0.77 KDM4E (0.47) TRPA1SRCAPPKDM1AUSP7
SCHEMBL18652291 0.75 TRPA1 (0.45) TRPA1SRCAPPFAAHKDM1A

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-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 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 4766/4885SRC 2178/4885APP 1046/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885SRC 1359/4885APP 2700/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885SRC 1359/4885APP 2700/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885SRC 2178/4885APP 1046/4885

“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.