SCHEMBL22753062

SCHEMBL22753062

CC(=O)Nc1cccc(-c2cnc(-c3cc(C)c(F)c(-c4cc(-c5cc(-c6cccc(O)c6)cnc5-c5ccc(F)c(C)c5)cc5scnc45)c3)c(-c3ccc4ncsc4c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 7/20 0.40
▸ USP7 Q93009 2/20 0.40
▸ VRK1 Q99986 1/20 0.38
▸ TGFBR1 P36897 2/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ CHRNA7 P36544 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ NEK2 P51955 1/20 0.33
▸ MAPK15 Q8TD08 1/20 0.33
▸ KIT P10721 1/20 0.33
▸ LIMK1 P53667 1/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ BRAF P15056 1/20 0.33

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
SCHEMBL15638440 0.89 TGFBR1 (0.46) FYNUSP7VRK1TGFBR1MEN1
SCHEMBL15637927 0.83 TGFBR1 (0.51) FYNVRK1TGFBR1HSD17B1HSD17B2
SCHEMBL22753046 0.79 PFKFB3 (0.38) VRK1TGFBR1FGFR1
SCHEMBL16473264 0.77 TGFBR1 (0.46) VRK1TGFBR1MEN1NPC1RAB9A
SCHEMBL15636907 0.71 CA12 (0.48) VRK1TGFBR1
SCHEMBL15639329 0.71 TGFBR1 (0.44) TGFBR1MEN1NPC1RAB9AKMT2A
SCHEMBL15638278 0.71 TGFBR1 (0.45) VRK1TGFBR1FGFR1
SCHEMBL15637457 0.71 TGFBR1 (0.50) FYNVRK1TGFBR1NPC1RAB9A
SCHEMBL16473260 0.70 TGFBR1 (0.49) VRK1TGFBR1NPC1RAB9A
SCHEMBL19661542 0.69 TGFBR1 (0.49) VRK1TGFBR1

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 FYN 1830/4885USP7 3716/4885VRK1 3444/4885

“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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