SCHEMBL4893662

SCHEMBL4893662

CCNC(=O)c1ccc2[nH]nc(-c3nc4cc5c(cc4[nH]3)NC(=O)C5(C)C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 18/20 0.52
PAK4 O96013 1/20 0.46
CDK2 P24941 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46

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
SCHEMBL5188939 0.93 CHEK1 (0.48) FLT3CDK2PDE4APDE4BPDE4C
SCHEMBL4931239 0.89 MAPK3 (0.54) FLT3PAK4CDK2
SCHEMBL5188932 0.87 PDE4A (0.50) FLT3PAK4CDK2PDE4APDE4B
SCHEMBL4888424 0.86 CHEK1 (0.53) FLT3PAK4CDK2
SCHEMBL5194410 0.83 AURKA (0.51) FLT3
SCHEMBL4896307 0.82 CHEK1 (0.52) FLT3
SCHEMBL5189495 0.80 AURKA (0.49) CDK2PDE4APDE4BPDE4CPDE4D
SCHEMBL4892869 0.79 CHEK1 (0.62)
SCHEMBL5192052 0.79 AURKA (0.55) FLT3PAK4CDK2PDE4APDE4B
SCHEMBL4923456 0.77 FLT3 (0.63) FLT3PAK4CDK2

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 FLT3 809/4885PAK4 3121/4885CDK2 318/4885

“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.