SCHEMBL4068874

SCHEMBL4068874

C=Cc1cnc(C(=O)c2ccc(F)c(F)c2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
VNN1 O95497 5/20 0.44
NTSR1 P30989 1/20 0.41
KCNQ3 O43525 5/20 0.40
KCNQ2 O43526 5/20 0.40
KCNQ5 Q9NR82 1/20 0.40
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
CHRNA7 P36544 2/20 0.39
PLA2G7 Q13093 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL4066477 0.86 CES2 (0.46) CES2CES1VNN1NTSR1KCNQ3
SCHEMBL2883258 0.80 CES2 (0.48) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL2882494 0.78 CES2 (0.43) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL27762073 0.76 PARP1 (0.38)
SCHEMBL7967901 0.72 CES2 (0.73) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL21394746 0.68 PPARG (0.39) KCNQ3KCNQ2
SCHEMBL12975496 0.68 VNN1 (0.56) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL12975456 0.68 VNN1 (0.51) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL12975504 0.68 VNN1 (0.54) CES2CES1VNN1KCNQ3KCNQ2
SCHEMBL2126134 0.68 CES2 (0.59) CES2CES1NTSR1PLA2G7

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-20090247560-A1 Diaryl ketimine derivative BANYU PHARMACEUTICAL CO., LTD. 2009-10-01 US disclosed
EP-2072519-A1 DIARYL KETIMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-06-24 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-20090247560-A1 Diaryl ketimine derivative NR0B2, NR2C2, NR3C2 CES2 1262/4885CES1 758/4885VNN1 4382/4885

“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.