SCHEMBL601047

SCHEMBL601047

Cc1nc(-c2noc(=O)[nH]2)cc(-c2ccccc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
MAPK14 Q16539 1/20 0.40
ADORA2A P29274 4/20 0.40
ADORA1 P30542 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2B P29275 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
KMO O15229 1/20 0.38
FTO Q9C0B1 1/20 0.38
ALPI P09923 1/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NOTUM Q6P988 1/20 0.37
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
MEN1 O00255 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL603096 0.87 KMO (0.40) DHODHKMOFTONPC1GAA
SCHEMBL603320 0.85 KMO (0.46) DHODHKDM5BKMOFTONPC1
SCHEMBL601129 0.81 KMO (0.44) DHODHKMOGAASMN1; SMN2KMT2A
SCHEMBL601257 0.79 ALOX5 (0.47) DHODHKDM5BKMO
SCHEMBL15479756 0.79 DHODH (0.48) DHODHFTONPC1GAARAB9A
SCHEMBL601483 0.79 KMO (0.43) DHODHADORA3KDM5BKMONPC1
SCHEMBL20910332 0.78 MAPK14 (0.53) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL607647 0.78 KMO (0.41) KDM5BKMONPC1GAARAB9A
SCHEMBL601046 0.78 MAPK14 (0.41) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL603947 0.76 KMO (0.47) ADORA3KMONPC1RAB9ASMN1; SMN2

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 DHODH 10/4885MAPK14 2820/4885ADORA2A 367/4885

“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.