SCHEMBL601003

SCHEMBL601003

NC(=NO)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.46
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
FAAH O00519 1/20 0.42
CASP1 P29466 1/20 0.40
TRPV1 Q8NER1 2/20 0.40

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
SCHEMBL10223609 1.00 KMO (0.46) KMOABL1BCRFAAHCASP1
SCHEMBL894459 0.82 KMO (0.55) KMOABL1BCRFAAHCASP1
SCHEMBL14667328 0.80 KMO (0.60) KMO
SCHEMBL4717327 0.78 ABL1 (0.57) ABL1BCRFAAHTRPV1
SCHEMBL894252 0.77 KMO (0.55) KMOABL1BCRFAAHTRPV1
SCHEMBL6917895 0.75 KMO (0.62) KMO
SCHEMBL2225344 0.75 KMO (0.62) KMO
SCHEMBL10223638 0.75 KMO (0.65) KMO
SCHEMBL601590 0.75 KMO (0.65) KMO
SCHEMBL17855 0.73 CA2 (0.48)

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 KMO 868/4885ABL1 3707/4885BCR 3155/4885

“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.