SCHEMBL603200

SCHEMBL603200

CC(C)c1nc(-c2ccccc2)cc(-c2nc(=O)o[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ADORA1 P30542 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
ADORA2A P29274 2/20 0.37
ADORA3 P0DMS8 2/20 0.37
TP53 P04637 2/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
XDH P47989 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSK3B P49841 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 1/20 0.35

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 0.85 TP53 (0.43) ALDH1A1ADORA1SMN1; SMN2ADORA2AADORA3
SCHEMBL17563610 0.79 MEN1 (0.54) ALDH1A1ADORA1SMN1; SMN2ADORA2AADORA3
SCHEMBL602893 0.77 CDC7 (0.39) ALDH1A1ADORA1SMN1; SMN2ADORA2AADORA3
SCHEMBL603201 0.77 ALDH1A1 (0.42) ALDH1A1ADORA1SMN1; SMN2ADORA2AADORA3
SCHEMBL3743781 0.74 BTK (0.44) ALDH1A1SMN1; SMN2ADORA2BHPGDKDM4E
SCHEMBL602041 0.73 XDH (0.47) ALDH1A1SMN1; SMN2ADORA3KDM4EXDH
SCHEMBL601256 0.71 RAD51 (0.45) ALDH1A1ADORA1SMN1; SMN2ADORA2AADORA3
SCHEMBL603481 0.71 CXCL12 (0.45) ALDH1A1TP53MEN1KMT2AMAPT
SCHEMBL601482 0.71 PFKFB3 (0.42) ADORA3KDM4EMEN1KMT2AMAPT
SCHEMBL603181 0.71 PFKFB3 (0.42) ADORA3TP53MEN1KMT2AMAPT

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 ALDH1A1 2299/4885ADORA1 372/4885SMN1; SMN2 1977/4885

“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.