SCHEMBL16473229

SCHEMBL16473229

Cc1cnc(-c2ccc(F)cc2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.56
▸ TRPA1 O75762 12/20 0.53
▸ EGFR P00533 2/20 0.51
▸ CSNK1E P49674 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ CSNK1D P48730 1/20 0.46
▸ PRKD2 Q9BZL6 1/20 0.46
▸ SLK Q9H2G2 1/20 0.46
▸ DYRK3 O43781 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ DYRK2 Q92630 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
SCHEMBL16473227 0.88 TRPA1 (0.55) TGFBR1TRPA1EGFRCSNK1ETRPM8
SCHEMBL16473228 0.88 TRPA1 (0.51) TGFBR1TRPA1TRPM8DYRK3CLK1
SCHEMBL16473230 0.88 TGFBR1 (0.54) TGFBR1TRPA1TRPM8
SCHEMBL15639196 0.86 TGFBR1 (0.53) TGFBR1TRPA1TRPM8DYRK3CLK1
SCHEMBL16473225 0.84 TRPA1 (0.70) TGFBR1TRPA1TRPM8DYRK3CLK1
SCHEMBL16473226 0.84 TRPA1 (0.54) TGFBR1TRPA1TRPM8DYRK3CLK1
SCHEMBL15639831 0.82 FGFR1 (0.52) TGFBR1TRPA1EGFRCSNK1EMAP4K4
SCHEMBL15639575 0.81 TGFBR1 (0.78) TGFBR1TRPA1EGFRCSNK1ETRPM8
SCHEMBL30117546 0.81 TGFBR1 (0.78) TGFBR1TRPA1EGFRCSNK1ETRPM8
SCHEMBL15639504 0.79 TGFBR1 (0.53) TGFBR1TRPA1TRPM8DYRK3CLK1

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
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
US-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 — — 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-9518040-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2016-12-13 — — 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 (3 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 4474/4885EGFR 743/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885TRPA1 4474/4885EGFR 743/4885
US-20170096409-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885TRPA1 4073/4885EGFR 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.

Send feedback