SCHEMBL15344160

SCHEMBL15344160

Cc1ccnc(-c2ccc3c(cnn3C)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
AR P10275 3/20 0.45
IRAK4 Q9NWZ3 2/20 0.44
CDC7 O00311 1/20 0.44
APP P05067 1/20 0.42
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
SRC P12931 2/20 0.40
USP7 Q93009 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
LRRK2 Q5S007 1/20 0.40
TGFBR1 P36897 1/20 0.40
MAPK14 Q16539 1/20 0.40
FAAH O00519 1/20 0.40
WNT1 P04628 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
SYK P43405 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
SCHEMBL15333551 0.84 TRPA1 (0.45) TRPA1ARCDC7APPCCNC
SCHEMBL15345075 0.82 TRPA1 (0.48) TRPA1ARCDC7APPCCNC
SCHEMBL15340907 0.82 KDM5B (0.46) TRPA1ARIRAK4CDC7APP
SCHEMBL15332466 0.82 SYK (0.44) TRPA1ARCDC7APPCCNC
SCHEMBL20604914 0.78 HSD11B1 (0.50) ARAPPCCNCCDK8SRC
SCHEMBL15344156 0.78 CCR1 (0.47) TRPA1ARIRAK4CDC7APP
SCHEMBL15345107 0.77 KDM4E (0.47) TRPA1ARCDC7APPCCNC
SCHEMBL15333561 0.75 USP7 (0.39) TRPA1ARCDC7APPCCNC
SCHEMBL15984817 0.75 TRPA1 (0.53) TRPA1ARAPPCCNCCDK8
SCHEMBL15344964 0.75 TRPA1 (0.47) TRPA1ARAPPSRCKDM5B

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 4766/4885AR 904/4885IRAK4 2677/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885AR 1982/4885IRAK4 2682/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TRPA1 4316/4885AR 1982/4885IRAK4 2682/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 TRPA1 4766/4885AR 904/4885IRAK4 2677/4885

“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.