SCHEMBL25084996

SCHEMBL25084996

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(O)cc3n2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 17/20 0.42
▸ MAPK14 Q16539 3/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ ADRA1A P35348 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ MTOR P42345 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
SCHEMBL30156054 1.00 TGFBR1 (0.42) TGFBR1MAPK14MEN1ALDH1A1MAPT
SCHEMBL25822564 0.88 TGFBR1 (0.44) TGFBR1MAPK14METAP2MTOR
SCHEMBL30156368 0.87 TGFBR1 (0.44) TGFBR1MAPK14MTOR
SCHEMBL25084658 0.87 TGFBR1 (0.44) TGFBR1MAPK14MTOR
SCHEMBL29796486 0.86 TGFBR1 (0.42) TGFBR1MAPK14METAP2MTOR
SCHEMBL23390013 0.86 TGFBR1 (0.42) TGFBR1MAPK14METAP2MTOR
SCHEMBL25084697 0.86 TGFBR1 (0.42) TGFBR1MAPK14METAP2MTOR
SCHEMBL30156263 0.86 TGFBR1 (0.42) TGFBR1MAPK14METAP2MTOR
SCHEMBL23418587 0.86 TGFBR1 (0.42) TGFBR1MAPK14METAP2MTOR
SCHEMBL25084690 0.86 TGFBR1 (0.40) TGFBR1MAPK14METAP2

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 211/4885MAPK14 1504/4885MEN1 3345/4885

“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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