SCHEMBL601204

SCHEMBL601204

CSc1nc(C(N)=NO)cc(C(F)(F)F)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32

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
SCHEMBL10223652 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPTHTTALDH1A1HPGD
SCHEMBL603166 0.80 HSP90AA1 (0.40) SMN1; SMN2MAPTALDH1A1KDM4EHSP90AA1
SCHEMBL10223614 0.80 HSP90AA1 (0.40) SMN1; SMN2MAPTALDH1A1KDM4EHSP90AA1
SCHEMBL604106 0.78 HSP90AA1 (0.33) SMN1; SMN2MAPTALDH1A1HSP90AA1HSP90AB1
SCHEMBL10272153 0.78 HSP90AA1 (0.33) SMN1; SMN2MAPTALDH1A1HSP90AA1HSP90AB1
SCHEMBL10223600 0.77 HSP90AA1 (0.34) SMN1; SMN2MAPTHSP90AA1HSP90AB1NPSR1
SCHEMBL602233 0.77 HSP90AA1 (0.34) SMN1; SMN2MAPTHSP90AA1HSP90AB1NPSR1
SCHEMBL2900606 0.76 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1HPGDKDM4E
SCHEMBL604337 0.76 CYP3A4 (0.36) SMN1; SMN2MAPTHSP90AA1HSP90AB1NPSR1
SCHEMBL22912221 0.76 FFAR4 (0.38) SMN1; SMN2MAPTALDH1A1HPGDKDM4E

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 SMN1; SMN2 1977/4885MAPT 3666/4885HTT 4591/4885

“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.