SCHEMBL25085018

SCHEMBL25085018

Cc1cccc(-c2nnn(Cc3ccccc3)c2-c2ccc3ncc(-c4c[nH]nc4C(F)(F)F)cc3n2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 4/20 0.37
▸ MAP4K4 O95819 4/20 0.37
▸ PRKACA P17612 4/20 0.37
▸ GSK3B P49841 4/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ CDK2 P24941 3/20 0.37
▸ HIPK2 Q9H2X6 3/20 0.37
▸ CLK4 Q9HAZ1 3/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ PRKX P51817 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ MAP4K2 Q12851 2/20 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
SCHEMBL25084683 0.84 CDC7 (0.41) CDC7MAP4K4PRKACAGSK3BPIM1
SCHEMBL25084858 0.81 TGFBR1 (0.40) TGFBR1
SCHEMBL30156340 0.81 TGFBR1 (0.40) TGFBR1
SCHEMBL23408110 0.79 TGFBR1 (0.42) CDC7MAP4K4PRKACAGSK3BPIM1
SCHEMBL29796644 0.79 TGFBR1 (0.40) CDC7MAP4K4PRKACAGSK3BPIM1
SCHEMBL23389744 0.79 TGFBR1 (0.40) CDC7MAP4K4PRKACAGSK3BPIM1
SCHEMBL25084852 0.78 TGFBR1 (0.39) TGFBR1
SCHEMBL25084647 0.75 GSK3B (0.47) CDC7MAP4K4PRKACAGSK3BPIM1
SCHEMBL23390007 0.75 CHRNB2 (0.40) TGFBR1
SCHEMBL29796391 0.75 CHRNB2 (0.40) TGFBR1

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 2 patents. 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
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 CDC7 1194/4885MAP4K4 572/4885PRKACA 50/4885

“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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