SCHEMBL30155944

SCHEMBL30155944

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(NC(=O)C(F)(F)F)cc3n2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 11/20 0.41
▸ KIT P10721 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ LRRK2 Q5S007 2/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL25085192 1.00 TGFBR1 (0.41) TGFBR1KITTGFBR2SMN1; SMN2IDO1
SCHEMBL30156603 0.86 NPC1 (0.45) TGFBR1TGFBR2
SCHEMBL25084669 0.86 NPC1 (0.45) TGFBR1TGFBR2
SCHEMBL30156555 0.83 TGFBR1 (0.41) TGFBR1TGFBR2
SCHEMBL25084920 0.83 TGFBR1 (0.41) TGFBR1TGFBR2
SCHEMBL25822669 0.82 BTK (0.42) TGFBR1
SCHEMBL25084996 0.79 TGFBR1 (0.42) TGFBR1
SCHEMBL30156054 0.79 TGFBR1 (0.42) TGFBR1
SCHEMBL25822564 0.79 TGFBR1 (0.44) TGFBR1
SCHEMBL25084984 0.79 TGFBR1 (0.50) TGFBR1TGFBR2

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-11590116-B2 Substituted pyridines and methods of use THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-02-28 — — 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-11590116-B2 Substituted pyridines and methods of use ALK, ACVR1, ACVR2A TGFBR1 211/4885KIT 32/4885TGFBR2 290/4885

“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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