SCHEMBL30156053

SCHEMBL30156053

Cc1cccc(-c2nn3cc(Cl)ccc3c2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)n1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 15/20 0.37
▸ TGFBR2 P37173 2/20 0.35
▸ MAP3K20 Q9NYL2 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ MTOR P42345 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
SCHEMBL25084820 1.00 TGFBR1 (0.37) TGFBR1TGFBR2MAP3K20CYP2D6PDE10A
SCHEMBL25822562 0.85 TGFBR1 (0.38) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL23418760 0.83 TGFBR1 (0.38) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL23389927 0.79 TGFBR1 (0.49) TGFBR1MAPK14THRB
SCHEMBL29796380 0.79 TGFBR1 (0.49) TGFBR1MAPK14THRB
SCHEMBL23389778 0.76 TGFBR1 (0.43) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL29796457 0.76 TGFBR1 (0.43) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL30156447 0.75 TGFBR1 (0.43) TGFBR1MAPK14FGFR3KDRMTOR
SCHEMBL25084909 0.75 TGFBR1 (0.43) TGFBR1MAPK14FGFR3KDRMTOR
SCHEMBL23389914 0.75 TGFBR1 (0.42) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14

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 211/4885TGFBR2 290/4885MAP3K20 160/4885

“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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