SCHEMBL6980949

SCHEMBL6980949

O=c1[nH]c2ccccc2c(=O)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NPEPPS P55786 2/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CA12 O43570 1/20 0.47
RNASEH1 O60930 1/20 0.47
ERCC1 P07992 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
CA9 Q16790 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
SCHEMBL30159205 0.85 KDM4E (0.53) KDM4EHTTALDH1A1L3MBTL1NPEPPS
SCHEMBL6980032 0.81 KDM4E (0.58) KDM4EHTTALDH1A1NPEPPSMAPT
SCHEMBL30159306 0.81 KDM4E (0.58) KDM4EHTTALDH1A1NPEPPSMAPT
SCHEMBL12869059 0.77 KDM4E (0.57) KDM4EHTTALDH1A1NPEPPSPKM
SCHEMBL6976268 0.77 NPEPPS (0.63) KDM4EHTTALDH1A1NPEPPSPKM
SCHEMBL6981997 0.77 KDM4E (0.74) KDM4EHTTALDH1A1NPEPPSMAPT
SCHEMBL14596918 0.77 KDM4E (0.57) KDM4EHTTALDH1A1L3MBTL1NPEPPS
SCHEMBL6974256 0.77 KDM4E (0.57) KDM4EHTTALDH1A1NPEPPSPKM
SCHEMBL6976175 0.77 TRPV1 (0.62) KDM4EHTTALDH1A1NPEPPSHSD17B10
SCHEMBL19402618 0.76 ALDH1A1 (0.57) KDM4EHTTALDH1A1L3MBTL1MAPT

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 4217/4885HTT 2594/4885ALDH1A1 331/4885

“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.