SCHEMBL602765

SCHEMBL602765

O=c1nc(-c2cc(C(F)(F)F)nc(C3CC3)n2)[nH]o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.36
KHK P50053 2/20 0.34
TLR8 Q9NR97 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NOTUM Q6P988 2/20 0.30
CYP17A1 P05093 2/20 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
SCHEMBL603471 0.90
SCHEMBL600563 0.79 HPGD (0.34) HPGDALDH1A1
SCHEMBL602766 0.78 LCAT (0.35) LCATKHKTLR8HPGDNOTUM
SCHEMBL604061 0.78 SDHB (0.33) TLR8HPGDKDM4EALDH1A1HSD17B10
SCHEMBL2334212 0.77 TACR1 (0.34) TLR8NOTUM
SCHEMBL602893 0.76 CDC7 (0.39) HPGDKDM4EALDH1A1HSD17B10
SCHEMBL603909 0.76 DRD3 (0.35) DRD2DRD3
SCHEMBL601836 0.75 HSD17B10 (0.51) HPGDKDM4EALDH1A1HSD17B10
SCHEMBL601265 0.75 LMNA (0.50) HPGDKDM4EALDH1A1TSHRHSD17B10
SCHEMBL603661 0.75 MEN1 (0.36) HPGDKDM4EALDH1A1TSHRHSD17B10

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 LCAT 3531/4885KHK 382/4885TLR8 2973/4885

“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.