SCHEMBL4490722

SCHEMBL4490722

Cc1cc(=O)n(N)c(=O)n1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
CYP3A4 P08684 2/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NOTUM Q6P988 1/20 0.49
IDH1 O75874 1/20 0.49
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
TYMS P04818 1/20 0.46
ATM Q13315 1/20 0.46
C5AR1 P21730 1/20 0.46
GSK3A P49840 2/20 0.44
GSK3B P49841 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44

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
SCHEMBL11730687 0.87 HPGD (0.59) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL7835720 0.85 KMT2A (0.69) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL7830685 0.76 KMT2A (0.58) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL13440548 0.75 HPGD (0.56) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL14038766 0.75 KMT2A (0.56) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL7831973 0.73 KMT2A (0.55) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2
SCHEMBL4392970 0.72 LMNA (0.60) KMT2AHPGDMAPK1SMN1; SMN2NOTUM
SCHEMBL8985073 0.72 GSK3B (0.67) KMT2ACYP3A4HPGDSMN1; SMN2ALDH1A1
SCHEMBL21801900 0.71 ALDH1A1 (0.39) KMT2AHPGDMAPK1SMN1; SMN2IDH1
SCHEMBL19755863 0.71 LOXL2 (0.54) KMT2ACYP3A4HPGDMAPK1SMN1; SMN2

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 KMT2A 1914/4885CYP3A4 917/4885HPGD 459/4885

“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.