SCHEMBL604337

SCHEMBL604337

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
CYP2C19 P33261 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CDK8 P49336 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL10223595 1.00 CYP3A4 (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL603166 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10223614 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL604106 0.78 HSP90AA1 (0.33) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10272153 0.78 HSP90AA1 (0.33) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL602233 0.77 HSP90AA1 (0.34) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10223600 0.77 HSP90AA1 (0.34) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL18471442 0.76 CYP2C19 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL601204 0.76 SMN1; SMN2 (0.36) HSP90AA1HSP90AB1NPSR1CDK8CDK19
SCHEMBL10223652 0.76 SMN1; SMN2 (0.36) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
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 CYP3A4 1535/4885CYP2D6 546/4885TSHR 4045/4885

“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.