SCHEMBL24211167

SCHEMBL24211167

Cc1ncnc2ccc(-c3cc(C(N)=O)c(N)nc3-c3cc(F)ccc3F)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.43
▸ MAP4K4 O95819 9/20 0.43
▸ DHODH Q02127 4/20 0.43
▸ PI4K2A Q9BTU6 4/20 0.41
▸ PI4KB Q9UBF8 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37
▸ CDC7 O00311 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL22172331 0.90 MAP4K4 (0.45) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL30721853 0.90 MAP4K4 (0.45) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL22163836 0.89 MAP4K4 (0.53) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL30721838 0.89 MAP4K4 (0.53) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL22172381 0.87 MAP4K4 (0.51) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL30721843 0.87 MAP4K4 (0.51) TGFBR1MAP4K4DHODHPI4K2API4KB
SCHEMBL22172380 0.87 MAP4K4 (0.46) TGFBR1MAP4K4PI4K2API4KB
SCHEMBL30721854 0.87 MAP4K4 (0.46) TGFBR1MAP4K4PI4K2API4KB
SCHEMBL22172332 0.82 MAP4K4 (0.45) TGFBR1MAP4K4DHODHDHFRALKBH5
SCHEMBL30721822 0.82 MAP4K4 (0.45) TGFBR1MAP4K4DHODHDHFRALKBH5

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-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN-KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD (CN) 2022-01-20 — — 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-20220017483-A1 AMINOPYRIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF ADORA1, ADORA2A, ADORA2B TGFBR1 2728/4885MAP4K4 4027/4885DHODH 1035/4885

“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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