SCHEMBL22753045

SCHEMBL22753045

Cc1cc(-c2ncccc2-c2cnc3[nH]ncc3c2)c(F)cc1-c1cnc(-c2cccc(C3CC3)c2)c(-c2cnc3[nH]ncc3c2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.38
▸ LRRK2 Q5S007 1/20 0.34
▸ KCNH2 Q12809 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ ALOX5AP P20292 2/20 0.31
▸ FEN1 P39748 2/20 0.31
▸ NMT1 P30419 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL30117442 0.86 TGFBR1 (0.41) TGFBR1LRRK2KCNH2PIK3CAMTOR
SCHEMBL15639216 0.86 TGFBR1 (0.41) TGFBR1LRRK2KCNH2PIK3CAMTOR
SCHEMBL15639201 0.82 TGFBR1 (0.40) TGFBR1LRRK2KCNH2PIK3CAMTOR
SCHEMBL15639572 0.75 TGFBR1 (0.52) TGFBR1LRRK2PIK3CAPIK3C3ALOX5AP
SCHEMBL15639399 0.75 TGFBR1 (0.54) TGFBR1LRRK2KCNH2PIK3CAPIK3C3
SCHEMBL15639548 0.73 TGFBR1 (0.44) TGFBR1PIK3CAPIK3C3PDE10A
SCHEMBL30117430 0.73 TGFBR1 (0.58) TGFBR1PDE10A
SCHEMBL15639428 0.73 TGFBR1 (0.58) TGFBR1PDE10A
SCHEMBL15640074 0.73 TGFBR1 (0.49) TGFBR1PIK3CAPIK3C3ALOX5APFEN1
SCHEMBL15639894 0.73 TGFBR1 (0.52) TGFBR1PIK3CAPIK3C3ALOX5APFEN1

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-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — 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-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885LRRK2 477/4885KCNH2 4594/4885

“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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