Sugi Predict

Sugi Predict / Compounds / SCHEMBL4829440

SCHEMBL4829440

SCHEMBL4829440

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]cc4NC(=O)c4cccc(C(F)(F)F)c4)nc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ ADCY8 P40145 1/20 0.37
▸ ADCY1 Q08828 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ CHEK1 O14757 1/20 0.36
▸ UBE2M P61081 5/20 0.36
▸ DCUN1D1 Q96GG9 5/20 0.36
▸ GPR35 Q9HC97 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ BRAF P15056 1/20 0.36

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
SCHEMBL4830762 0.90 AURKA (0.52) AURKAAURKBADCY8ADCY1F2
SCHEMBL4829059 0.89 AURKA (0.53) AURKAAURKBGAACHEK1
SCHEMBL4829389 0.89 AURKA (0.49) AURKAAURKBADCY8ADCY1GAA
SCHEMBL4830764 0.88 AURKA (0.48) AURKAAURKBUBE2MDCUN1D1
SCHEMBL4829392 0.87 AURKA (0.50) AURKAAURKBCHRM1CHEK1
SCHEMBL4830704 0.86 AURKA (0.51) AURKAAURKBADCY8ADCY1CHEK1
SCHEMBL4829488 0.86 AURKA (0.49) AURKAAURKBCYP1A2CYP2C19GAA
SCHEMBL4829419 0.86 AURKA (0.51) AURKAAURKBCYP1A2CYP2C9CYP2C19
SCHEMBL4826008 0.86 AURKA (0.52) AURKAAURKBCHEK1
SCHEMBL4823345 0.86 AURKA (0.52) AURKAAURKBGAACHEK1

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 1096/4885ADCY8 3541/4885

“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.