SCHEMBL6981446

SCHEMBL6981446

O=c1[nH]c2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.71
GAA P10253 3/20 0.71
PDE7A Q13946 1/20 0.70
PDE7B Q9NP56 1/20 0.70
TP53 P04637 1/20 0.65
NPEPPS P55786 2/20 0.61
ALDH1A1 P00352 6/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
NPC1 O15118 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA2A P29274 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
CA12 O43570 1/20 0.58
RNASEH1 O60930 1/20 0.58
ERCC1 P07992 1/20 0.58
ERCC5 P28715 1/20 0.58
FEN1 P39748 1/20 0.58

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
SCHEMBL6971771 0.88 HTT (0.72) KDM4EGAAPDE7APDE7BTP53
SCHEMBL1548586 0.86 TP53 (0.62) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6970729 0.86 GAA (0.64) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6982369 0.86 KDM4E (0.60) KDM4EGAAPDE7APDE7BTP53
SCHEMBL8217549 0.86 KDM4E (0.60) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6973874 0.86 TP53 (0.62) KDM4EGAAPDE7APDE7BTP53
SCHEMBL12889780 0.86 TP53 (0.62) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6977596 0.86 KDM4E (0.73) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6983353 0.86 TP53 (0.58) KDM4EGAAPDE7APDE7BTP53
SCHEMBL6980347 0.84 KDM4E (1.00) KDM4EGAAPDE7APDE7BTP53

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 5 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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed
US-4551458-A 1-HALOALKYLTHIO DERIVATIVES MAKHTESHIM CHEMICAL WORKS, LTD. (IL) 1985-11-05 US 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 638/4885PDE7A 309/4885

“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.