SCHEMBL6978491

SCHEMBL6978491

N#Cc1ccc(C(O)CCn2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.57
CYP19A1 P11511 7/20 0.55
CYP11B1 P15538 2/20 0.55
CYP11B2 P19099 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
HMOX1 P09601 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL11279766 0.86 CYP19A1 (0.67) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL1978472 0.81 HMOX1 (0.68) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11633201 0.81 CYP19A1 (0.73) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11756428 0.81 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11630824 0.81 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL6981959 0.81 CYP19A1 (0.73) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11632476 0.78 KMT2A (0.54) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL6979413 0.78 CYP19A1 (0.55) TBXAS1CYP19A1CYP11B1CYP11B2L3MBTL1
SCHEMBL11363968 0.77 CYP19A1 (0.58) TBXAS1CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11388108 0.76 CYP19A1 (0.47) TBXAS1CYP19A1HMOX1

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
EP-1346992-A1 Quinazoline derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-09-24 EP 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 TBXAS1 423/4885CYP19A1 1823/4885CYP11B1 162/4885

“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.