SCHEMBL6977553

SCHEMBL6977553

N#Cc1cccc(-n2c(=O)[nH]c3ccccc3c2=O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
GAA P10253 2/20 0.67
TP53 P04637 1/20 0.58
NPEPPS P55786 2/20 0.51
HTT P42858 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
RNASEH1 O60930 1/20 0.44

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
SCHEMBL6982752 0.85 TP53 (0.58) KDM4EGAATP53NPEPPSHTT
SCHEMBL6980347 0.80 KDM4E (1.00) KDM4EGAATP53NPEPPSHTT
SCHEMBL6981446 0.79 KDM4E (0.71) KDM4EGAATP53NPEPPSHTT
SCHEMBL6975203 0.79 KDM4E (0.72) KDM4EGAATP53NPEPPSHTT
SCHEMBL6981508 0.79 KDM4E (0.72) KDM4EGAATP53NPEPPSHTT
SCHEMBL6979777 0.77 KDM4E (0.68) KDM4EGAATP53NPEPPSSMN1; SMN2
SCHEMBL6981343 0.76 GAA (0.67) KDM4EGAATP53NPEPPSHTT
SCHEMBL5461862 0.76 GAA (0.67) KDM4EGAATP53NPEPPSHTT
SCHEMBL6976604 0.76 KDM4E (0.67) KDM4EGAATP53NPEPPSHTT
SCHEMBL6978711 0.75 GAA (0.65) KDM4EGAATP53NPEPPSHTT

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 KDM4E 4217/4885GAA 638/4885TP53 3198/4885

“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.