SCHEMBL603189

SCHEMBL603189

FC(F)(F)c1ccccc1-c1cc(Cl)ncn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.61
CYP3A4 P08684 6/20 0.61
KMO O15229 2/20 0.60
CYP2C19 P33261 9/20 0.55
TSHR P16473 6/20 0.55
CYP2D6 P10635 5/20 0.55
HIF1A Q16665 3/20 0.55
ALOX15 P16050 4/20 0.51
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP2 O75604 3/20 0.49
CLK4 Q9HAZ1 3/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
SCN9A Q15858 1/20 0.42
CDC7 O00311 1/20 0.42

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
SCHEMBL2409765 0.80 CYP1A2 (0.66) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL28513229 0.80 CYP1A2 (0.61) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL29857047 0.77 NPC1 (0.51) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL1444788 0.77 NPC1 (0.51) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL21058751 0.77 ACP1 (0.47) CYP1A2CYP3A4KMOALDH1A1SCN9A
SCHEMBL2408676 0.76 CYP1A2 (0.57) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL16964533 0.76 CYP1A2 (0.57) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL6040159 0.76 CYP1A2 (0.61) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL16964536 0.76 CYP1A2 (1.00) CYP1A2CYP3A4KMOCYP2C19TSHR
SCHEMBL1938822 0.75 KMO (1.00) CYP1A2CYP3A4KMOCYP2C19TSHR

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 5 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
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US 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 CYP1A2 912/4885CYP3A4 1535/4885KMO 868/4885

“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.