SCHEMBL25084648

SCHEMBL25084648

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(-c4ncn5c4CNCC5)cc3n2)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 18/20 0.40
▸ MAPK14 Q16539 2/20 0.33
▸ TGFBR2 P37173 2/20 0.32
▸ MAP3K20 Q9NYL2 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31

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
SCHEMBL30156157 1.00 TGFBR1 (0.40) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL25084688 0.88 TGFBR1 (0.36) TGFBR1MAPK14TGFBR2PIM1
SCHEMBL30155826 0.87 TGFBR1 (0.40) TGFBR1TGFBR2MAP3K20CYP2D6PIM1
SCHEMBL25084528 0.87 TGFBR1 (0.40) TGFBR1TGFBR2MAP3K20CYP2D6PIM1
SCHEMBL30156500 0.86 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL25084562 0.86 TGFBR1 (0.44) TGFBR1MAPK14
SCHEMBL30155742 0.86 TGFBR1 (0.39) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL25084660 0.86 TGFBR1 (0.39) TGFBR1MAPK14TGFBR2MAP3K20CYP2D6
SCHEMBL23389760 0.85 PDCD1 (0.43) TGFBR1TGFBR2PIM1
SCHEMBL29796704 0.85 PDCD1 (0.43) TGFBR1TGFBR2PIM1

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 1504/4885TGFBR2 290/4885

“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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