SCHEMBL15345014

SCHEMBL15345014

Cc1cc(-c2ccc3c(cnn3C)c2)cnc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
FAAH O00519 2/20 0.44
APP P05067 1/20 0.43
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
SRC P12931 2/20 0.41
USP7 Q93009 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
AR P10275 2/20 0.41
PRMT5 O14744 1/20 0.41
WNT1 P04628 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
CYP2A6 P11509 1/20 0.40
NOTUM Q6P988 1/20 0.39
CDC7 O00311 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
KDM1A O60341 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
SCHEMBL17547049 0.85 TRPA1 (0.45) TRPA1FAAHAPPCCNCCDK8
SCHEMBL19998599 0.85 TRPA1 (0.48) TRPA1FAAHAPPSRCUSP7
SCHEMBL15332540 0.85 TRPA1 (0.45) TRPA1FAAHAPPCCNCCDK8
SCHEMBL20132730 0.84 AR (0.52) TRPA1FAAHAPPCCNCCDK8
SCHEMBL15341817 0.83 KDM5B (0.46) TRPA1FAAHAPPCCNCCDK8
SCHEMBL15345171 0.79 TRPA1 (0.47) TRPA1FAAHAPPCCNCCDK8
SCHEMBL15344972 0.78 TRPA1 (0.52) TRPA1FAAHAPPCCNCCDK8
SCHEMBL15345075 0.77 TRPA1 (0.48) TRPA1FAAHAPPCCNCCDK8
SCHEMBL15344153 0.77 TRPA1 (0.48) TRPA1FAAHAPPCCNCCDK8
SCHEMBL19998605 0.77 TRPA1 (0.51) TRPA1FAAHAPPCCNCCDK8

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 4 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-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885FAAH 4377/4885APP 2700/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885FAAH 4377/4885APP 2700/4885

“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.