SCHEMBL603192

SCHEMBL603192

CN(CC(F)(F)F)c1cc(-c2nc(=O)o[nH]2)ncn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.36
CYP1A2 P05177 11/20 0.36
CYP2C19 P33261 10/20 0.36
USP2 O75604 7/20 0.36
CYP3A4 P08684 6/20 0.36
ALOX15 P16050 3/20 0.36
LMNA P02545 3/20 0.36
TBK1 Q9UHD2 2/20 0.35
CLK4 Q9HAZ1 8/20 0.33
HSD17B10 Q99714 7/20 0.33
MAPK1 P28482 2/20 0.33
CYP2D6 P10635 6/20 0.33
GLA P06280 4/20 0.33
TSHR P16473 3/20 0.33
TP53 P04637 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
ITGB2 P05107 1/20 0.31

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
SCHEMBL603193 0.78 KMO (0.44) ALDH1A1CYP1A2CYP2C19USP2CYP3A4
SCHEMBL603190 0.76 L3MBTL1 (0.33) ALDH1A1CYP1A2USP2ALOX15HSD17B10
SCHEMBL18107 0.73 CA2 (0.39)
SCHEMBL602808 0.71
SCHEMBL601160 0.69 ELANE (0.30)
SCHEMBL601169 0.67 SLC6A2 (0.37) ALDH1A1CYP1A2CYP2C19USP2CYP3A4
SCHEMBL603109 0.67 KMO (0.51) ALDH1A1CYP1A2CYP2C19USP2CYP3A4
SCHEMBL2340433 0.65 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL2337221 0.64 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C19LMNAMEN1
SCHEMBL603202 0.64 AR (0.37) ALDH1A1CYP1A2CYP2C19USP2CYP3A4

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 ALDH1A1 2299/4885CYP1A2 912/4885CYP2C19 391/4885

“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.