SCHEMBL25084809

SCHEMBL25084809

Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(C4=CCNC4)cc3n2)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 20/20 0.39
▸ MTOR P42345 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ TGFBR2 P37173 1/20 0.36
▸ MAP3K20 Q9NYL2 1/20 0.36
▸ MAPK14 Q16539 2/20 0.35

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
SCHEMBL30155653 1.00 TGFBR1 (0.39) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23392236 0.88 TGFBR1 (0.39) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL30155908 0.84 TGFBR1 (0.39) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL25084786 0.84 TGFBR1 (0.39) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL30156483 0.84 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23408104 0.84 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL23408251 0.84 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL30156391 0.84 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL25084775 0.82 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20
SCHEMBL25085258 0.82 TGFBR1 (0.37) TGFBR1MTORCYP2D6TGFBR2MAP3K20

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 211/4885MTOR 2401/4885CYP2D6 3809/4885

“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.

Send feedback