SCHEMBL25084522

SCHEMBL25084522

Cc1nc(-c2n[nH]cc2-c2ccc3ncc(-c4cnc5n4CCNC5)cc3n2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.36
▸ GSK3B P49841 14/20 0.35
▸ DYRK1A Q13627 14/20 0.35
▸ WNT1 P04628 8/20 0.35
▸ MAPK14 Q16539 2/20 0.33
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL25085265 0.89 TGFBR1 (0.37) TGFBR1GSK3BDYRK1AMAPK14
SCHEMBL25084878 0.88 TGFBR1 (0.43) TGFBR1GSK3BDYRK1AWNT1
SCHEMBL30156122 0.88 TGFBR1 (0.43) TGFBR1GSK3BDYRK1AWNT1
SCHEMBL22075215 0.87 SCN9A (0.39) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL25084540 0.87 TGFBR1 (0.39) TGFBR1MAPK14
SCHEMBL30156191 0.87 TGFBR1 (0.39) TGFBR1MAPK14
SCHEMBL25084854 0.86 TGFBR1 (0.37) TGFBR1MAPK14
SCHEMBL25085115 0.85 PDCD1 (0.38) TGFBR1MAPK14
SCHEMBL25084666 0.85 PDCD1 (0.38) TGFBR1MAPK14
SCHEMBL22075108 0.85 GSK3B (0.35) GSK3BDYRK1AWNT1CLK2CLK3

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 TGFBR1 211/4885GSK3B 624/4885DYRK1A 1296/4885

“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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