SCHEMBL30156330

SCHEMBL30156330

Cc1nc(-c2nc3ccccn3c2-c2ccc3ncc(Br)cc3n2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TGFBR1 P36897 5/20 0.39
▸ MAPK13 O15264 2/20 0.37
▸ MAPK12 P53778 2/20 0.37
▸ MAPK11 Q15759 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CDK2 P24941 4/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ CSNK1D P48730 1/20 0.35
▸ CSNK1E P49674 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CCNE1 P24864 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
SCHEMBL23408108 0.88 TGFBR1 (0.39) TP53THRBTGFBR1MAPK13MAPK12
SCHEMBL29796664 0.86 MAPT (0.39) TGFBR1KDM4ENPC1MAPTRAB9A
SCHEMBL23389872 0.86 MAPT (0.39) TGFBR1KDM4ENPC1MAPTRAB9A
SCHEMBL22075219 0.83 TP53 (0.41) TP53THRBMAPK13MAPK12MAPK11
SCHEMBL30156165 0.83 TGFBR1 (0.39) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25084498 0.83 TGFBR1 (0.39) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25084622 0.82 CHRNB2 (0.41) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30156074 0.82 CHRNB2 (0.41) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL25084600 0.80 CHRNB2 (0.48) MAPK13MAPK12MAPK11MAPK14CDK2
SCHEMBL25084779 0.78 MET (0.39) KCNH2HRH3

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 TP53 1955/4885THRB 434/4885TGFBR1 211/4885

“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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