SCHEMBL26834965

SCHEMBL26834965

Nc1n[nH]c2nc([C@@H]3C[C@H]3F)ccc12

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 9/20 0.32
▸ AURKA O14965 5/20 0.32
▸ TGFBR1 P36897 5/20 0.32
▸ AURKB Q96GD4 5/20 0.32
▸ ROCK1 Q13464 4/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ MAP3K5 Q99683 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
SCHEMBL26675400 1.00 PDPK1 (0.32) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675403 0.84 PDPK1 (0.33) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26834939 0.84 PDPK1 (0.33) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675371 0.83 AURKA (0.30) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675350 0.78 ILK (0.38) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26835001 0.78 TRPV3 (0.37) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675353 0.76 AOC3 (0.32) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26834986 0.76 PDPK1 (0.36) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675440 0.75 PDPK1 (0.38) PDPK1AURKATGFBR1AURKBROCK1
SCHEMBL26675448 0.75 PDPK1 (0.40) PDPK1AURKATGFBR1AURKBROCK1

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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 PDPK1 1700/4885AURKA 2686/4885TGFBR1 1288/4885

“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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