SCHEMBL604379

SCHEMBL604379

COc1nc(C(N)=NO)cc(C(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.46
KMT2A Q03164 4/20 0.36
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 3/20 0.35
LMNA P02545 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MAPT P10636 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 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
SCHEMBL10223647 1.00 HSD17B10 (0.46) HSD17B10KMT2AGAAL3MBTL1CYP1A2
SCHEMBL10223614 0.80 HSP90AA1 (0.40) KMT2AGAAL3MBTL1NPSR1KDM4E
SCHEMBL603166 0.80 HSP90AA1 (0.40) KMT2AGAAL3MBTL1NPSR1KDM4E
SCHEMBL604106 0.78 HSP90AA1 (0.33) KMT2ANPSR1HSP90AA1HSP90AB1MAPT
SCHEMBL10272153 0.78 HSP90AA1 (0.33) KMT2ANPSR1HSP90AA1HSP90AB1MAPT
SCHEMBL1179341 0.78 CYP1A2 (0.42) HSD17B10KMT2AGAAL3MBTL1CYP1A2
SCHEMBL10223600 0.77 HSP90AA1 (0.34) NPSR1HSP90AA1HSP90AB1MAPTSMN1; SMN2
SCHEMBL602233 0.77 HSP90AA1 (0.34) NPSR1HSP90AA1HSP90AB1MAPTSMN1; SMN2
SCHEMBL604337 0.76 CYP3A4 (0.36) TSHRCYP2C19NPSR1HSP90AA1HSP90AB1
SCHEMBL10223652 0.76 SMN1; SMN2 (0.36) HSD17B10KMT2ANPSR1KDM4EHSP90AA1

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 HSD17B10 3869/4885KMT2A 1181/4885GAA 1427/4885

“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.