SCHEMBL13680555

SCHEMBL13680555

Cc1cccc(-c2ccc3c(cnn3C)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 17/20 0.55
MAPK14 Q16539 7/20 0.55
TRPA1 O75762 1/20 0.50
IRAK4 Q9NWZ3 2/20 0.48

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
SCHEMBL17547051 0.84 TRPA1 (0.49) TGFBR1MAPK14TRPA1
SCHEMBL15332767 0.84 TRPA1 (0.49) TGFBR1MAPK14TRPA1
SCHEMBL15344151 0.83 TRPA1 (0.48) TGFBR1MAPK14TRPA1
SCHEMBL15341838 0.81 TRPA1 (0.47) TRPA1IRAK4
SCHEMBL30183010 0.80 TGFBR1 (0.65) TGFBR1MAPK14
SCHEMBL28510134 0.79 TGFBR1 (0.63) TGFBR1MAPK14
SCHEMBL13680579 0.78 NR3C1 (0.60) TGFBR1MAPK14TRPA1
SCHEMBL15344154 0.78 TRPA1 (0.46) TGFBR1MAPK14TRPA1
SCHEMBL15345107 0.78 KDM4E (0.47) TRPA1
SCHEMBL15344963 0.77 TRPA1 (0.45) TGFBR1MAPK14TRPA1

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 6 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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 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 TGFBR1 4545/4885MAPK14 3189/4885TRPA1 4316/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 TGFBR1 4545/4885MAPK14 3189/4885TRPA1 4316/4885

“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.