SCHEMBL7122603

SCHEMBL7122603

CCOC(=O)CC(c1ccccc1)n1ccnc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 6/20 0.53
CYP24A1 Q07973 11/20 0.50
CYP27B1 O15528 2/20 0.47
CYP19A1 P11511 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL19054884 0.87 MAPT (0.56) CYP17A1CYP24A1CYP27B1KDM4E
SCHEMBL20390011 0.86 CYP19A1 (0.54) CYP17A1CYP24A1CYP19A1KDM4E
SCHEMBL20390012 0.83 CYP17A1 (0.49) CYP17A1CYP24A1KDM4E
SCHEMBL410598 0.82 CYP17A1 (0.56) CYP17A1CYP24A1CYP27B1CYP19A1KDM4E
SCHEMBL6983161 0.82 CYP24A1 (0.56) CYP17A1CYP24A1CYP27B1CYP19A1KDM4E
SCHEMBL27550789 0.80 CYP19A1 (0.50) CYP17A1CYP24A1CYP19A1KDM4E
SCHEMBL5297627 0.77 CYP17A1 (0.82) CYP17A1CYP19A1
SCHEMBL1913708 0.77 ALDH1A1 (0.44) CYP24A1KDM4E
SCHEMBL19054886 0.77 CYP19A1 (0.55) CYP17A1CYP19A1
SCHEMBL19054890 0.77 CYP17A1 (0.56) CYP17A1CYP24A1CYP27B1CYP19A1

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-20030199530-A1 New compounds derived from quinazoline LES LABORATORIES SERVIER (FR) 2003-10-23 US disclosed
CN-1445226-A New cornpound derivated from quinazoline, itd preparation method and medicinal composite containig them ADIR (FR) 2003-10-01 CN 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-20030199530-A1 New compounds derived from quinazoline NQO2, XDH, DRD1 CYP17A1 3127/4885CYP24A1 2355/4885CYP27B1 1416/4885

“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.