SCHEMBL601169

SCHEMBL601169

CN(CC(F)(F)F)c1cc(Cl)ncn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
TNNI3K Q59H18 1/20 0.34
NPC1 O15118 1/20 0.33
KCNH2 Q12809 2/20 0.33
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPT P10636 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
SCHEMBL603202 0.76 AR (0.37) USP2CYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL5883439 0.74 POLB (0.46) SLC6A2NPC1ALDH1A1
SCHEMBL937306 0.73 NPC1 (0.44) SLC6A2NPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL4874968 0.71 LRRK2 (0.42) SLC6A2NPC1CYP3A4
SCHEMBL18985819 0.71 ACACB (0.38) SLC6A2
SCHEMBL10223667 0.71 KCNH2 (0.35) KCNH2
SCHEMBL9685872 0.70 NPC1 (0.39) SLC6A2NPC1CYP1A2CYP2C19ALDH1A1
SCHEMBL23977999 0.69 UHRF1 (0.39) NPC1ALDH1A1MAPT
SCHEMBL24605692 0.68 HRH4 (0.35) ALDH1A1
SCHEMBL603193 0.67 KMO (0.44) USP2CYP1A2CYP2C19ALDH1A1LMNA

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 SLC6A2 3601/4885TNNI3K 1902/4885NPC1 3500/4885

“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.