SCHEMBL602045

SCHEMBL602045

Cc1nc(Cc2ccccc2)cc(-c2nc(=O)o[nH]2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 2/20 0.37
BRD4 O60885 2/20 0.35
HTR2B P41595 1/20 0.35
GSK3B P49841 1/20 0.34
ALPL P05186 1/20 0.34
PSD A5PKW4 1/20 0.34
HPGD P15428 2/20 0.34
ADORA1 P30542 1/20 0.34
BCAT2 O15382 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ELANE P08246 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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 0.80 TP53 (0.43) POLBKDM4EHSD17B10HPGDADORA1
SCHEMBL602046 0.79 POLB (0.46) POLBGABRA1GABRB2KDM4EHSD17B10
SCHEMBL601046 0.73 MAPK14 (0.41) ADORA1
SCHEMBL601256 0.69 RAD51 (0.45) KDM4EHSD17B10GSK3BPSDHPGD
SCHEMBL601482 0.69 PFKFB3 (0.42) KDM4EGSK3BMAPTKMT2AMEN1
SCHEMBL20618235 0.69 SLC6A3 (0.50) POLBHSD17B10BRD4HTR2BALDH1A1
SCHEMBL604061 0.69 SDHB (0.33) POLBKDM4EHSD17B10HPGDMAPT
SCHEMBL604508 0.68 ALDH1A1 (0.50) POLBGABRA1GABRB2KDM4EBRD4
SCHEMBL604119 0.66 POLB (0.48) POLBKDM4EHPGDMAPTKMT2A
SCHEMBL3743781 0.65 BTK (0.44) POLBKDM4EHPGDMAPTKMT2A

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 POLB 335/4885GABRA1 3940/4885GABRB2 3644/4885

“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.