SCHEMBL601225

SCHEMBL601225

Cc1c(C#N)ncnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 3/20 0.51
KDR P35968 2/20 0.51
CHEK1 O14757 1/20 0.51
ABL1 P00519 1/20 0.51
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
FLT1 P17948 1/20 0.51
GRK5 P34947 1/20 0.51
MAP2K2 P36507 1/20 0.51
CDK8 P49336 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
PRKX P51817 1/20 0.51
NEK2 P51955 1/20 0.51
LIMK1 P53667 1/20 0.51
MAP2K1 Q02750 1/20 0.51
PRKCQ Q04759 1/20 0.51
MAP4K2 Q12851 1/20 0.51
DYRK1A Q13627 1/20 0.51
IKBKE Q14164 1/20 0.51

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
SCHEMBL19537684 0.80 ADORA2A (0.54) LIMK1HSD17B10KDM4EALDH1A1HTT
SCHEMBL24533909 0.76 ERBB2 (0.36) ERBB2KDRCHEK1ABL1PDGFRB
SCHEMBL603678 0.75 CHEK1 (0.65) ERBB2KDRCHEK1ABL1PDGFRB
SCHEMBL604021 0.72 ADORA2A (0.46) KDM4EALDH1A1HTTADORA2APIK3CA
SCHEMBL16281521 0.72 ADORA2A (0.46) HSD17B10KDM4EALDH1A1HTTADORA2A
SCHEMBL19439626 0.70 CHEK1 (0.59) ERBB2KDRCHEK1ABL1PDGFRB
SCHEMBL7537686 0.70 ERBB2 (0.59) ERBB2KDRCHEK1ABL1PDGFRB
SCHEMBL23942195 0.70 ERBB2 (0.33) ERBB2
SCHEMBL10427642 0.69 ERBB2 (0.53) ERBB2KDRCHEK1ABL1PDGFRB
SCHEMBL29403276 0.69 ALDH1A1 (0.43) MAPK14CLK4HSD17B10KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
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 ERBB2 3943/4885KDR 2838/4885CHEK1 588/4885

“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.