SCHEMBL5486197

SCHEMBL5486197

Cc1nc(N2CCCC2CO)c2ccc(OCC3CC3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
ACVR1 Q04771 3/20 0.44
MAP2K7 O14733 1/20 0.43
ENPP1 P22413 1/20 0.43
PDK2 Q15119 2/20 0.43
PDK4 Q16654 1/20 0.43
PDE4A P27815 2/20 0.43
PDE4D Q08499 2/20 0.43
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
NPY5R Q15761 2/20 0.39
CRHR1 P34998 1/20 0.38
MAOB P27338 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL5486187 1.00 CCNE2 (0.44) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5488381 0.85 SPHK2 (0.49) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5488384 0.85 SPHK2 (0.49) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5486142 0.83 SPHK2 (0.53) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5486137 0.83 SPHK2 (0.53) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5486454 0.82 SPHK2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5486462 0.82 SPHK2 (0.41) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5484952 0.82 MAP2K7 (0.59) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5484954 0.82 MAP2K7 (0.59) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL5486309 0.81 CCNE2 (0.41) CCNE2CDK4CCND1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205309-B2 Quinazoline derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1560816-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 US disclosed
WO-2004005265-A1 QUINAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-15 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-20040029901-A1 Quinazoline derivatives GPR119, NQO2, CYP7A1 CCNE2 1754/4885CDK4 2986/4885CCND1 2234/4885

“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.