Sugi Predict

Sugi Predict / Compounds / SCHEMBL4825548

SCHEMBL4825548

SCHEMBL4825548

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]cc4NC(=O)CC(C)C)nc3cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.54
▸ AURKB Q96GD4 2/20 0.54
▸ CHEK1 O14757 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CLK2 P49760 2/20 0.32
▸ CLK3 P49761 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 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
SCHEMBL4829102 0.91 AURKA (0.57) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4827079 0.90 AURKA (0.55) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4829418 0.89 AURKA (0.58) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4830726 0.89 AURKA (0.52) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4824930 0.88 AURKA (0.54) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4824875 0.88 AURKA (0.54) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4823342 0.88 AURKA (0.57) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4829435 0.88 AURKA (0.53) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4825138 0.87 AURKA (0.54) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4829193 0.86 AURKA (0.58) AURKAAURKBCHEK1SRCCDK2

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-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 2006-10-19 — — US claimed
US-7462639-B2 e.g 3-(7,7-Dimethyl-6-oxo-1,5,6,7-tetrahydro-imidazo[4,5-f]indol-2-yl)-1H-pyrazol-4-yl]-carbamic acid benzyl ester; Aurora A (serotonin/threonine) kinase inhibitors; anticarcinogenic agent; colorectal, breast, lung, prostate, pancreatic, gastric, bladder, ovarian cancer, melanoma, neuroblastoma HOFFMANN-LA ROCHE INC. (US) 2008-12-09 — — US disclosed
EP-1879894-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-01-23 — — EP disclosed
US-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 2006-10-19 — — US disclosed
WO-2006108489-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — 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 (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-20060235065-A1 Aminopyrazole derivatives CYP3A43, CYP3A5, CYP3A4 AURKA 742/4885AURKB 1096/4885CHEK1 1442/4885

“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.