SCHEMBL16473230

SCHEMBL16473230

Cc1cnc(-c2ccc(F)c(F)c2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.54
▸ TRPA1 O75762 12/20 0.53
▸ TRPM8 Q7Z2W7 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL15639196 0.92 TGFBR1 (0.53) TGFBR1TRPA1TRPM8
SCHEMBL16473229 0.88 TGFBR1 (0.56) TGFBR1TRPA1TRPM8
SCHEMBL16473228 0.86 TRPA1 (0.51) TGFBR1TRPA1TRPM8CYP2D6CYP2C9
SCHEMBL16473225 0.84 TRPA1 (0.70) TGFBR1TRPA1TRPM8
SCHEMBL16473226 0.84 TRPA1 (0.54) TGFBR1TRPA1TRPM8
SCHEMBL30117521 0.83 TRPA1 (0.48) TGFBR1TRPA1CYP1A2CYP2D6CYP2C9
SCHEMBL15638854 0.83 TRPA1 (0.48) TGFBR1TRPA1CYP1A2CYP2D6CYP2C9
SCHEMBL15639499 0.82 TGFBR1 (0.53) TGFBR1TRPA1TRPM8CYP1A2CYP2D6
SCHEMBL15639504 0.82 TGFBR1 (0.53) TGFBR1TRPA1TRPM8
SCHEMBL15639988 0.81 TGFBR1 (0.70) TGFBR1TRPA1TRPM8

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 TGFBR1 128/4885TRPA1 4474/4885TRPM8 1885/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885TRPA1 4073/4885TRPM8 3589/4885

“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.

Send feedback