SCHEMBL16473226

SCHEMBL16473226

Cc1cccc(-c2ncc(C)cc2-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 11/20 0.54
▸ TGFBR1 P36897 5/20 0.51
▸ GSK3B P49841 4/20 0.50
▸ DYRK3 O43781 1/20 0.50
▸ CLK1 P49759 1/20 0.50
▸ CLK2 P49760 1/20 0.50
▸ CLK3 P49761 1/20 0.50
▸ CDK5 Q00535 1/20 0.50
▸ DYRK1A Q13627 1/20 0.50
▸ CDK5R1 Q15078 1/20 0.50
▸ DYRK2 Q92630 1/20 0.50
▸ CLK4 Q9HAZ1 1/20 0.50
▸ DYRK1B Q9Y463 1/20 0.50
▸ ROCK2 O75116 3/20 0.46
▸ AURKB Q96GD4 2/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45
▸ MAPK14 Q16539 1/20 0.45
▸ PIM1 P11309 2/20 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
SCHEMBL16473228 0.89 TRPA1 (0.51) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL15638586 0.86 TGFBR1 (0.62) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL15639986 0.85 FGFR1 (0.51) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL30117579 0.85 FGFR1 (0.51) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL16473230 0.84 TGFBR1 (0.54) TRPA1TGFBR1TRPM8
SCHEMBL13680578 0.84 GSK3B (0.70) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL16473229 0.84 TGFBR1 (0.56) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL15639196 0.83 TGFBR1 (0.53) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL15638690 0.83 MAPK14 (0.47) TRPA1TGFBR1GSK3BDYRK3CLK1
SCHEMBL15639401 0.83 ROCK1 (0.53) TRPA1TGFBR1GSK3BDYRK3CLK1

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 128/4885GSK3B 1362/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 TRPA1 4073/4885TGFBR1 1/4885GSK3B 57/4885

“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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