SCHEMBL22753042

SCHEMBL22753042

Cc1cccc(-c2nc(N)ccc2-c2cc(-c3cc(-c4ncc(NS(C)(=O)=O)cc4-c4ccc5[nH]ncc5c4)cc(C)c3F)c3ncsc3c2)c1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.33
▸ TGFBR1 P36897 4/20 0.32
▸ ROCK1 Q13464 2/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ MAPK14 Q16539 3/20 0.32
▸ ADORA2A P29274 1/20 0.31
▸ MCHR1 Q99705 1/20 0.30
▸ BTK Q06187 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
SCHEMBL15638690 0.78 MAPK14 (0.47) TGFBR1ROCK1ROCK2MAPK14ADORA2A
SCHEMBL15638792 0.73 TGFBR1 (0.46) TGFBR1ROCK1ROCK2MAPK14
SCHEMBL15639974 0.72 TRPA1 (0.52) TGFBR1ROCK2MAPK14
SCHEMBL15639153 0.67 ROCK2 (0.42) ROCK1ROCK2MAPK14ADORA2ABTK
SCHEMBL30117459 0.66 TGFBR1 (0.52) TGFBR1
SCHEMBL15638153 0.66 TGFBR1 (0.52) TGFBR1
SCHEMBL15639401 0.66 ROCK1 (0.53) TGFBR1ROCK1ROCK2MAPK14ADORA2A
SCHEMBL15639817 0.65 TGFBR1 (0.52) PTK2TGFBR1ROCK1ROCK2
SCHEMBL16473226 0.65 TRPA1 (0.54) TGFBR1ROCK2MAPK14
SCHEMBL15638051 0.64 DYRK1A (0.50) TGFBR1ADORA2A

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 PTK2 186/4885TGFBR1 2/4885ROCK1 306/4885

“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