SCHEMBL16473227

SCHEMBL16473227

Cc1cnc(-c2ccc(F)cc2C)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 12/20 0.55
▸ TGFBR1 P36897 4/20 0.49
▸ EGFR P00533 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ CSNK1E P49674 1/20 0.41

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
SCHEMBL16473229 0.88 TGFBR1 (0.56) TRPA1TGFBR1EGFRTRPM8CSNK1E
SCHEMBL16473228 0.84 TRPA1 (0.51) TRPA1TGFBR1TRPM8
SCHEMBL16473225 0.82 TRPA1 (0.70) TRPA1TGFBR1TRPM8
SCHEMBL15639196 0.82 TGFBR1 (0.53) TRPA1TGFBR1TRPM8
SCHEMBL16473230 0.81 TGFBR1 (0.54) TRPA1TGFBR1TRPM8
SCHEMBL16473226 0.77 TRPA1 (0.54) TRPA1TGFBR1TRPM8
SCHEMBL15639504 0.75 TGFBR1 (0.53) TRPA1TGFBR1TRPM8
SCHEMBL22753052 0.74 TGFBR1 (0.57) TRPA1TGFBR1S1PR1FGFR1TRPM8
SCHEMBL30117487 0.73 TGFBR1 (0.71) TRPA1TGFBR1TRPM8
SCHEMBL15638898 0.73 TGFBR1 (0.71) TRPA1TGFBR1TRPM8

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
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use MIDCAP FINANCIAL TRUST 2017-04-06 — — US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — 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-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TRPA1 4474/4885TGFBR1 128/4885EGFR 743/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 TRPA1 4073/4885TGFBR1 1/4885EGFR 50/4885

“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.

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