SCHEMBL15344153

SCHEMBL15344153

Cc1cncc(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
FAAH O00519 2/20 0.45
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
APP P05067 1/20 0.44
NR3C1 P04150 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AR P10275 3/20 0.41
CYP2A6 P11509 1/20 0.41
SRC P12931 2/20 0.39
USP7 Q93009 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 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
SCHEMBL20004107 0.83 TRPA1 (0.50) TRPA1FAAHCCNCCDK8APP
SCHEMBL13680579 0.83 NR3C1 (0.60) TRPA1FAAHCCNCCDK8APP
SCHEMBL15340896 0.81 TRPA1 (0.45) TRPA1FAAHCCNCCDK8APP
SCHEMBL15344151 0.78 TRPA1 (0.48) TRPA1CCNCCDK8APPCYP11B1
SCHEMBL30698187 0.77 AR (0.59) CCNCCDK8CYP11B1CYP11B2AR
SCHEMBL15345120 0.77 TRPA1 (0.47) TRPA1FAAHCCNCCDK8APP
SCHEMBL15345014 0.77 TRPA1 (0.47) TRPA1FAAHCCNCCDK8APP
SCHEMBL23638931 0.77 TRPA1 (0.60) TRPA1FAAHCCNCCDK8APP
SCHEMBL15344972 0.76 TRPA1 (0.52) TRPA1FAAHCCNCCDK8APP
SCHEMBL424964 0.76 TRPA1 (0.46) TRPA1APPNR3C1CYP11B1CYP11B2

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 4766/4885FAAH 4110/4885CCNC 328/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885FAAH 4377/4885CCNC 2801/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885FAAH 4377/4885CCNC 2801/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885FAAH 4110/4885CCNC 328/4885

“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.