SCHEMBL21363898

SCHEMBL21363898

Fc1ccc(-c2ncccc2-c2ccc3ncccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 11/20 0.61
TOP1 P11387 3/20 0.48
MAPK14 Q16539 2/20 0.47
MAPK10 P53779 1/20 0.46
PIK3CA P42336 1/20 0.43
PDE10A Q9Y233 1/20 0.41
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL28018828 0.85 TGFBR1 (0.48) TGFBR1
SCHEMBL15639583 0.81 TGFBR1 (0.51) TGFBR1TOP1PIK3CA
SCHEMBL15640132 0.81 TGFBR1 (0.57) TGFBR1TOP1MAPK14
SCHEMBL15639821 0.78 TGFBR1 (0.47) TGFBR1TOP1PIK3CAPDE10A
SCHEMBL30117887 0.77 PTGS2 (0.51) TGFBR1TOP1MAPK14MAPK10CSNK1D
SCHEMBL15638432 0.77 PTGS2 (0.51) TGFBR1TOP1MAPK14MAPK10CSNK1D
SCHEMBL6581932 0.77 MAPK14 (0.51) MAPK14CSNK1DCSNK1E
SCHEMBL15640150 0.76 BCHE (0.49) TGFBR1PDE10A
SCHEMBL15639907 0.76 TGFBR1 (0.48) TGFBR1TOP1MAPK14PDE10A
Gw785804X SCHEMBL373499 0.76 TGFBR1 (1.00) TGFBR1TOP1MAPK14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 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 (1 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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885TOP1 874/4885MAPK14 1569/4885

“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.