Sugi Predict

Sugi Predict / Compounds / SCHEMBL4507865

SCHEMBL4507865

SCHEMBL4507865

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(Br)cc45)[nH]c3cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 4/20 0.56
▸ AURKA O14965 3/20 0.56
▸ FLT3 P36888 5/20 0.50
▸ CLK4 Q9HAZ1 3/20 0.50
▸ PDPK1 O15530 3/20 0.50
▸ FGFR1 P11362 2/20 0.50
▸ MAP3K8 P41279 10/20 0.45
▸ CDK2 P24941 3/20 0.43
▸ CHEK1 O14757 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ AXL P30530 2/20 0.37
▸ MAP4K4 O95819 2/20 0.37
▸ CHEK2 O96017 2/20 0.37
▸ CSF1R P07333 2/20 0.37
▸ FER P16591 2/20 0.37
▸ MARK3 P27448 2/20 0.37
▸ FLT4 P35916 2/20 0.37
▸ CSNK1D P48730 2/20 0.37

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
SCHEMBL4493829 0.93 AURKA (0.56) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL4888461 0.89 AURKA (0.56) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL4887900 0.89 AURKA (0.56) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL5189605 0.89 AURKA (0.56) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL4914751 0.88 AURKA (0.59) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL5189691 0.86 AURKA (0.54) AURKBAURKAFLT3CLK4FGFR1
SCHEMBL4497871 0.86 AURKA (0.54) AURKBAURKAFLT3CDK2CHEK1
SCHEMBL5954827 0.86 AURKA (0.54) AURKBAURKAFLT3PDPK1CDK2
SCHEMBL4512971 0.86 AURKA (0.54) AURKBAURKAFLT3CLK4PDPK1
SCHEMBL4510836 0.86 AURKA (0.53) AURKBAURKAFLT3CDK2CHEK1

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-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 — — US claimed
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 — — US disclosed
EP-2001882-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-La Roche AG (CH) 2008-12-17 — — EP disclosed
WO-2007107346-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 — — WO disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 — — US 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 AURKB 2087/4885AURKA 1558/4885FLT3 223/4885
US-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 AURKB 2155/4885AURKA 2529/4885FLT3 809/4885

“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.