SCHEMBL26675350

SCHEMBL26675350

Nc1n[nH]c2nc(C3CC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ILK Q13418 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ PDPK1 O15530 9/20 0.36
▸ AURKA O14965 5/20 0.36
▸ TGFBR1 P36897 5/20 0.36
▸ AURKB Q96GD4 5/20 0.36
▸ ROCK1 Q13464 4/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GSK3A P49840 3/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ SYK P43405 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ SGK1 O00141 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CHUK O15111 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33

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
SCHEMBL30600545 0.93 PDPK1 (0.40) ILKMAPTGAAPDPK1AURKA
SCHEMBL30600534 0.93 PDPK1 (0.38) ILKMAPTGAAPDPK1AURKA
SCHEMBL26675448 0.93 PDPK1 (0.40) ILKMAPTGAAPDPK1AURKA
SCHEMBL26675440 0.93 PDPK1 (0.38) ILKMAPTGAAPDPK1AURKA
Toluene SCHEMBL29104791 0.88 ILK (0.37) ILKMAPTGAAPDPK1AURKA
SCHEMBL29768241 0.80 PDPK1 (0.36) GAAPDPK1AURKATGFBR1AURKB
SCHEMBL26834986 0.80 PDPK1 (0.36) GAAPDPK1AURKATGFBR1AURKB
SCHEMBL26834965 0.78 PDPK1 (0.32) GAAPDPK1AURKATGFBR1AURKB
SCHEMBL30675632 0.78 PDPK1 (0.32) GAAPDPK1AURKATGFBR1AURKB
SCHEMBL26675400 0.78 PDPK1 (0.32) GAAPDPK1AURKATGFBR1AURKB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 — — US disclosed
EP-4284797-A1 PYRAZOLEAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-12-06 — — EP disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 — — US disclosed
WO-2022162034-A1 PYRAZOLEAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2022-08-04 — — WO 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 (2 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 ILK 4713/4885MAPT 3058/4885GAA 1714/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B ILK 3968/4885MAPT 2409/4885GAA 2331/4885

“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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