SCHEMBL602893

SCHEMBL602893

O=c1nc(-c2cc(-c3ccccc3)nc(C3CC3)n2)[nH]o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
ADORA1 P30542 8/20 0.37
ADORA2A P29274 5/20 0.37
ADORA3 P0DMS8 5/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
XDH P47989 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
GSK3B P49841 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
ADORA2B P29275 1/20 0.34

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
SCHEMBL601128 0.81 TP53 (0.43) ADORA1ADORA2AADORA3ALDH1A1HPGD
SCHEMBL602894 0.78 KMO (0.41) CDC7DBF4ADORA1ADORA2AADORA3
SCHEMBL603200 0.77 ALDH1A1 (0.40) ADORA1ADORA2AADORA3ALDH1A1HPGD
SCHEMBL3743781 0.73 BTK (0.44) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL1935612 0.70 CYP1A2 (0.44) CDC7ALDH1A1NPC1RAB9AGSK3B
SCHEMBL601265 0.69 LMNA (0.50) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL602041 0.69 XDH (0.47) ADORA3ALDH1A1KDM4EXDHNPC1
SCHEMBL601725 0.69 MEN1 (0.43) ADORA1ADORA2AADORA3ALDH1A1HPGD
SCHEMBL602965 0.69 KDM4E (0.54) ADORA1ADORA2AADORA3ALDH1A1HPGD
SCHEMBL601256 0.68 RAD51 (0.45) CDC7ADORA1ADORA2AADORA3ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 WO 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS CDC7 792/4885DBF4 363/4885ADORA1 372/4885

“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.