SCHEMBL6975916

SCHEMBL6975916

O=c1[nH]c2ccccc2c(=O)n1-c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.54
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.50
ADORA3 P0DMS8 2/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
TP53 P04637 1/20 0.50
CA12 O43570 1/20 0.50
RNASEH1 O60930 1/20 0.50
ERCC1 P07992 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
CA9 Q16790 1/20 0.50
ERCC4 Q92889 1/20 0.50
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPK10 P53779 1/20 0.47

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
SCHEMBL30423157 0.84 GABRP (0.53) KDM4EGAAADORA3MAPK1CYP1A2
SCHEMBL4161172 0.84 GABRP (0.53) KDM4EGAAADORA3MAPK1CYP1A2
SCHEMBL16857004 0.81 KDM4E (0.63) NPEPPSKDM4EGAAALDH1A1ADORA3
SCHEMBL8184255 0.80 NPEPPS (0.49) NPEPPSKDM4EGAAALDH1A1ADORA3
SCHEMBL11436500 0.79 DAO (0.57) GAAALDH1A1ADORA3MAPK1SMN1; SMN2
SCHEMBL5464635 0.78 NPEPPS (0.48) NPEPPSKDM4EGAAALDH1A1TP53
SCHEMBL5473898 0.78 NPEPPS (0.54) NPEPPSKDM4EGAAALDH1A1ADORA3
SCHEMBL25768726 0.77 AURKA (0.51) GAAALDH1A1ADORA3TP53MAPK1
SCHEMBL30218779 0.76 SMN1; SMN2 (0.47) KDM4EGAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL6982369 0.76 KDM4E (0.60) NPEPPSKDM4EGAAALDH1A1ADORA3

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 NPEPPS 3142/4885KDM4E 4217/4885GAA 638/4885

“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.