SCHEMBL4494422

SCHEMBL4494422

Nn1c(=O)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
ADORA2A P29274 1/20 0.43
NOTUM Q6P988 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5800712 0.80 HPGD (0.49) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL9118024 0.79 CYP3A4 (0.51) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL5482630 0.76 HPGD (0.49) MAPK14CYP2D6ADORA2AALDH1A1HPGD
SCHEMBL7521742 0.75 HTT (0.45) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL3993878 0.75 MAPK14 (0.45) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL5797003 0.73 HTT (0.44) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL399970 0.73 MAPK14 (0.52) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL10376057 0.73 PIK3CD (0.34) KDM4EALDH1A1MEN1KMT2A
SCHEMBL5798118 0.72 NOTUM (0.44) MAPK14HTTSMN1; SMN2KDM4ETP53
SCHEMBL7830409 0.72 MAPK14 (0.44) MAPK14HTTSMN1; SMN2KDM4ETP53

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-7501429-B2 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2009-03-10 US disclosed
US-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents QUEEN'S UNIVERSITY (CA) 2003-08-14 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-20030153584-A1 Pyrimidine compounds as anti-ictogenic and/or anti-epileptogenic agents NUDT1, DPYD, TYMP MAPK14 4184/4885HTT 1443/4885SMN1; SMN2 2247/4885

“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.