SCHEMBL30155914

SCHEMBL30155914

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(-c4c(C)nn5c4NCCC5)cc3n2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 19/20 0.45
▸ TGFBR2 P37173 3/20 0.38
▸ MAP3K20 Q9NYL2 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPK14 Q16539 5/20 0.37
▸ THRB P10828 5/20 0.37
▸ GAK O14976 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ACVR1B P36896 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ TGFB2 P61812 1/20 0.35
▸ MINK1 Q8N4C8 1/20 0.35
▸ COQ8A Q8NI60 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ RIPK3 Q9Y572 1/20 0.35

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
SCHEMBL25084505 1.00 TGFBR1 (0.45) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25084874 0.89 TGFBR1 (0.38) TGFBR1MAPK14
SCHEMBL30155841 0.87 TGFBR1 (0.46) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25085158 0.87 TGFBR1 (0.46) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25084958 0.86 TGFBR1 (0.45) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL30156429 0.86 TGFBR1 (0.45) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL22074823 0.83 FGFR3 (0.32) KDR
SCHEMBL25085221 0.82 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL30155971 0.82 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6MAPK14
SCHEMBL25084771 0.81 TGFBR1 (0.38) TGFBR1MAPK14KDR

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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