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SCHEMBL4829418

SCHEMBL4829418

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.58
▸ AURKB Q96GD4 4/20 0.58
▸ CDK2 P24941 2/20 0.39
▸ CHEK1 O14757 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KDM4E B2RXH2 5/20 0.31
▸ ALDH1A1 P00352 5/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 4/20 0.31
▸ HPGD P15428 3/20 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
SCHEMBL4823342 0.92 AURKA (0.57) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4829102 0.92 AURKA (0.57) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4827079 0.90 AURKA (0.55) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4824858 0.90 AURKA (0.55) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4829193 0.90 AURKA (0.58) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4821874 0.90 AURKA (0.55) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4829458 0.90 AURKA (0.54) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4825138 0.90 AURKA (0.54) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4829463 0.90 AURKA (0.54) AURKAAURKBCDK2CHEK1SRC
SCHEMBL4824819 0.90 AURKA (0.54) AURKAAURKBCDK2CHEK1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008535876-A — — 2008-09-04 — — JP claimed
EP-1879894-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-01-23 — — EP claimed
US-20060235065-A1 Aminopyrazole derivatives HOFFMANN-LA ROCHE INC. 2006-10-19 — — US claimed
WO-2006108489-A1 AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 — — WO 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 1096/4885CDK2 400/4885

“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.