SCHEMBL26675448

SCHEMBL26675448

Nc1n[nH]c2nc(C3CCCC3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 3/20 0.40
▸ TGFBR1 P36897 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ AURKA O14965 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HSP90AB1 P08238 1/20 0.36
▸ SGK1 O00141 1/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ ILK Q13418 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ ULK1 O75385 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 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 1.00 PDPK1 (0.40) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL26675440 0.97 PDPK1 (0.38) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL30600534 0.97 PDPK1 (0.38) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL26675350 0.93 ILK (0.38) PDPK1TGFBR1AURKBAURKAROCK1
Toluene SCHEMBL29104791 0.82 ILK (0.37) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL26834986 0.77 PDPK1 (0.36) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL29768241 0.77 PDPK1 (0.36) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL30675632 0.75 PDPK1 (0.32) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL26675403 0.75 PDPK1 (0.33) PDPK1TGFBR1AURKBAURKAROCK1
SCHEMBL26834965 0.75 PDPK1 (0.32) PDPK1TGFBR1AURKBAURKAROCK1

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 6 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
CN-116867782-A Pyrazole amide derivative 豪夫迈·罗氏有限公司 2023-10-10 — — CN 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 PDPK1 1700/4885TGFBR1 1288/4885AURKB 3338/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B PDPK1 888/4885TGFBR1 651/4885AURKB 1031/4885

“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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