SCHEMBL23418878

SCHEMBL23418878

Cc1cccc(-c2nn(C3CCCCO3)cc2-c2ccc3ncc(N(O)O)cc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ FGFR2 P21802 2/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ FGFR3 P22607 2/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ TGFBR1 P36897 14/20 0.38
▸ ATR Q13535 1/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BRAF P15056 1/20 0.34
▸ TGFBR2 P37173 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32

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
SCHEMBL29796700 0.88 TGFBR1 (0.39) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL23389890 0.88 TGFBR1 (0.39) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL29796469 0.88 TGFBR1 (0.38) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL23389880 0.88 TGFBR1 (0.38) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL23389975 0.85 ABL1 (0.40) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL28785431 0.84 TGFBR1 (0.41) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL30156362 0.84 TGFBR1 (0.38) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL25084993 0.84 TGFBR1 (0.38) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL29967757 0.79 TGFBR1 (0.39) KDRFGFR1FGFR2FGFR4FGFR3
SCHEMBL25822670 0.79 TGFBR1 (0.39) KDRFGFR1FGFR2FGFR4FGFR3

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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — 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-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A KDR 86/4885FGFR1 123/4885FGFR2 265/4885

“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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