SCHEMBL25084498

SCHEMBL25084498

Cc1nc(-c2nc3ccccn3c2-c2ccc3ncc(-c4cn[nH]c4)cc3n2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 7/20 0.39
▸ MAPK14 Q16539 5/20 0.36
▸ MAPK13 O15264 3/20 0.36
▸ MAPK12 P53778 3/20 0.36
▸ MAPK11 Q15759 3/20 0.36
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ CDK4 P11802 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FEN1 P39748 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ HRH3 Q9Y5N1 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
SCHEMBL30156165 1.00 TGFBR1 (0.39) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL23389904 0.87 TGFBR1 (0.41) TGFBR1MAPK14CDK4CDK2AKT1
SCHEMBL29796367 0.87 TGFBR1 (0.41) TGFBR1MAPK14CDK4CDK2AKT1
SCHEMBL22075432 0.85 MAPK13 (0.39) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL23408108 0.83 TGFBR1 (0.39) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL30156330 0.83 TP53 (0.39) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL25084622 0.80 CHRNB2 (0.41) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL30156074 0.80 CHRNB2 (0.41) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL25085157 0.79 PDCD1 (0.38) TGFBR1MAPK14MAPK13MAPK12MAPK11
SCHEMBL25084881 0.79 TGFBR1 (0.36) TGFBR1MAPK14MAPK13MAPK12MAPK11

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 211/4885MAPK14 1504/4885MAPK13 1027/4885

“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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