Sugi Predict

Sugi Predict / Compounds / SCHEMBL4830740

SCHEMBL4830740

SCHEMBL4830740

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]cc4NC(=O)OCc4ccccc4)nc3cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.50
▸ AURKB Q96GD4 2/20 0.50
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ CHEK1 O14757 2/20 0.34
▸ TACR3 P29371 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL4822438 0.90 AURKA (0.49) AURKAAURKBBRAFNPC1RAB9A
SCHEMBL4829193 0.90 AURKA (0.58) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4827086 0.89 AURKA (0.51) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL4826377 0.89 AURKA (0.51) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4829382 0.89 AURKA (0.51) AURKAAURKBNPC1RAB9AMAOB
SCHEMBL4823342 0.88 AURKA (0.57) AURKAAURKBRAF1BRAFCHEK1
SCHEMBL4821936 0.88 AURKA (0.50) AURKAAURKBRAB9ACHEK1SRC
SCHEMBL4829059 0.87 AURKA (0.53) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4829308 0.87 AURKA (0.53) AURKAAURKBNPC1RAB9ACHEK1
SCHEMBL4829408 0.87 AURKA (0.52) 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 1096/4885RAF1 1276/4885

“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.