SCHEMBL602233

SCHEMBL602233

CC(C)(C)c1nc(C(N)=NO)cc(C(F)(F)F)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
CDK8 P49336 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
PDPK1 O15530 1/20 0.32
DRD2 P14416 8/20 0.32
DRD3 P35462 8/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL10223600 1.00 HSP90AA1 (0.34) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10272153 0.89 HSP90AA1 (0.33) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL604106 0.89 HSP90AA1 (0.33) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL13066926 0.81 HSP90AA1 (0.36) HSP90AA1HSP90AB1CDK8CDK19DRD2
SCHEMBL10223614 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL603166 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL604337 0.77 CYP3A4 (0.36) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL601204 0.77 SMN1; SMN2 (0.36) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10223595 0.77 CYP3A4 (0.36) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL604379 0.77 HSD17B10 (0.46) HSP90AA1HSP90AB1NPSR1CDK8CDK19

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 HSP90AA1 3094/4885HSP90AB1 3128/4885NPSR1 3600/4885

“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.