SCHEMBL4891748

SCHEMBL4891748

CC(C)N1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(C(=O)O)cc45)[nH]c3cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAK4 O96013 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 16/20 0.41
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK3 Q16644 1/20 0.39
MAPK6 Q16659 1/20 0.39
PDPK1 O15530 1/20 0.38

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
SCHEMBL4497871 0.87 AURKA (0.54) PAK4CDK2FLT3
SCHEMBL4886259 0.86 FGFR1 (0.48) PAK4CDK2FLT3FGFR1FLT1
SCHEMBL5189724 0.84 AURKA (0.43) PAK4CDK2FLT3FGFR1FLT1
SCHEMBL5192185 0.81 MAPT (0.43) FLT3FGFR1MAPK1
SCHEMBL5188932 0.81 PDE4A (0.50) PAK4CDK2FLT3MAPK1MAP2K4
SCHEMBL5954827 0.80 AURKA (0.54) PAK4CDK2FLT3PDPK1
SCHEMBL4500435 0.80 AURKA (0.54) CDK2FLT3
SCHEMBL4510836 0.79 AURKA (0.53) PAK4CDK2FLT3
SCHEMBL5955008 0.78 AURKA (0.46) PAK4CDK2FLT3FGFR1FLT1
SCHEMBL4895796 0.78 AURKA (0.51) PAK4CDK2FLT3FGFR1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 PAK4 3121/4885CDK2 318/4885FLT3 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.