SCHEMBL6977589

SCHEMBL6977589

OCCC(c1ccccc1)n1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 9/20 0.61
CYP19A1 P11511 3/20 0.57
CYP24A1 Q07973 7/20 0.51
MEN1 O00255 1/20 0.50
NR1I2 O75469 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PLA2G1B P04054 1/20 0.50
TP53 P04637 1/20 0.50
PGR P06401 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
IDO1 P14902 1/20 0.50
HPGD P15428 1/20 0.50
MAOA P21397 1/20 0.50
CNR1 P21554 1/20 0.50
HTR2A P28223 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL6949630 0.87 CYP19A1 (0.61) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL27565980 0.84 CYP17A1 (0.61) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL4578052 0.84 CYP17A1 (0.83) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL7276614 0.84 CYP17A1 (0.61) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL27484897 0.81 CYP17A1 (0.63) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL9910964 0.81 CYP17A1 (0.84) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL8156789 0.81 CYP19A1 (0.66) CYP17A1CYP19A1
SCHEMBL28747929 0.80 CYP17A1 (0.60) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL28844444 0.80 CYP17A1 (0.57) CYP17A1CYP19A1CYP24A1MEN1NR1I2
SCHEMBL5821117 0.80 CYP19A1 (0.61) CYP17A1CYP19A1CYP24A1MEN1NR1I2

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 3 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
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 CYP17A1 3127/4885CYP19A1 1823/4885CYP24A1 2355/4885

“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.