SCHEMBL25084579

SCHEMBL25084579

Cc1cccc(-c2n[nH]cc2-c2ccc3ncc(-c4cc5n(n4)CCNC5)cc3n2)n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.43
▸ CD274 Q9NZQ7 1/20 0.43
▸ TGFBR1 P36897 16/20 0.40
▸ TGFBR2 P37173 2/20 0.34
▸ MAP3K20 Q9NYL2 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ GRM5 P41594 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
SCHEMBL30156287 1.00 PDCD1 (0.43) PDCD1CD274TGFBR1TGFBR2MAP3K20
SCHEMBL25084778 0.88 PDCD1 (0.38) PDCD1CD274TGFBR1PIM1
SCHEMBL30155826 0.87 TGFBR1 (0.40) PDCD1CD274TGFBR1TGFBR2MAP3K20
SCHEMBL25084528 0.87 TGFBR1 (0.40) PDCD1CD274TGFBR1TGFBR2MAP3K20
SCHEMBL30156048 0.86 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6
SCHEMBL25085167 0.86 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6
SCHEMBL30156037 0.86 PDCD1 (0.42) PDCD1CD274TGFBR1TGFBR2MAP3K20
SCHEMBL25084626 0.86 PDCD1 (0.42) PDCD1CD274TGFBR1TGFBR2MAP3K20
SCHEMBL25084560 0.86 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6PIM1
SCHEMBL30156194 0.86 TGFBR1 (0.44) TGFBR1TGFBR2MAP3K20CYP2D6PIM1

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 PDCD1 3348/4885CD274 3380/4885TGFBR1 211/4885

“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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