SCHEMBL602892

SCHEMBL602892

FC(F)(F)CNc1cc(Cl)ncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IL1B P01584 1/20 0.38
NLRP3 Q96P20 1/20 0.38
NPC1 O15118 1/20 0.38
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 0.33
GPR39 O43194 1/20 0.33
HIF1A Q16665 1/20 0.33
EGFR P00533 1/20 0.33
ALOX15 P16050 2/20 0.32
MAPK1 P28482 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
FAAH O00519 5/20 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
SCHEMBL15356370 0.81 HRH4 (0.51) MEN1KMT2ANPC1HRH4HRH3
SCHEMBL6696015 0.79 NPC1 (0.40) MEN1KMT2AIL1BNPC1HRH4
SCHEMBL17700215 0.78 THRB (0.45) IL1BNLRP3HRH4HRH3CYP1A2
Hydrochloric Acid SCHEMBL11782659 0.75 FAAH (0.53) GPR39CLK4FAAH
SCHEMBL374260 0.75 EGFR (0.53) MEN1KMT2ANPC1MKNK1CYP1A2
SCHEMBL18131074 0.75 MEN1 (0.49) MEN1KMT2ANPC1MKNK1CYP1A2
SCHEMBL10094037 0.74 ESR1 (0.42) IL1BNLRP3HRH4CYP2C19CYP2D6
SCHEMBL31294545 0.73 IL1B (0.43) IL1BNLRP3CYP1A2GPR39
SCHEMBL9085501 0.73 NPC1 (0.35) MEN1KMT2ANPC1HRH4HRH3
SCHEMBL24605555 0.72 CYP11B2 (0.40) IL1BNLRP3HRH4HRH3CYP1A2

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 MEN1 4287/4885KMT2A 1181/4885IL1B 3230/4885

“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.