SCHEMBL5484952

SCHEMBL5484952

Cc1nc(N2CCC[C@H]2CO)c2ccc(O)cc2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K7 O14733 3/20 0.59
CCNE2 O96020 1/20 0.50
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50
PDK2 Q15119 3/20 0.48
PDK4 Q16654 2/20 0.48
ACVR1 Q04771 1/20 0.44
NPY5R Q15761 3/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RAD52 P43351 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 3/20 0.39

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
SCHEMBL5484954 1.00 MAP2K7 (0.59) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5486197 0.82 CCNE2 (0.44) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5486187 0.82 CCNE2 (0.44) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5488381 0.81 SPHK2 (0.49) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5488384 0.81 SPHK2 (0.49) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5036104 0.81 MAP2K7 (0.48) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5036101 0.81 MAP2K7 (0.48) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5486309 0.78 CCNE2 (0.41) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5486137 0.78 SPHK2 (0.53) MAP2K7CCNE2CDK4CCND1CCNE1
SCHEMBL5486142 0.78 SPHK2 (0.53) MAP2K7CCNE2CDK4CCND1CCNE1

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 2 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
US-20040029901-A1 Quinazoline derivatives HOFFMANN-LA ROCHE INC. 2004-02-12 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 (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 MAP2K7 4227/4885CCNE2 1754/4885CDK4 2986/4885

“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.