SCHEMBL603180

SCHEMBL603180

O=C(N1CCCC1)n1c(-c2cc(-c3cccc(C(F)(F)F)c3)ncn2)noc1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.47
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
GRIN2B Q13224 10/20 0.42
GRIN1 Q05586 7/20 0.42
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
ABL1 P00519 2/20 0.39
BCR P11274 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2332580 0.83 HPGD (0.40) DPP4DPP7GRIN2BGRIN1POLB
SCHEMBL2338430 0.82 HPGD (0.42) DPP4DPP7GRIN2BGRIN1POLB
SCHEMBL604084 0.81 FABP4 (0.33) GRIN2BPOLBLMNAHPGDCYP2C9
SCHEMBL602588 0.78
SCHEMBL13067065 0.77 DPP4 (0.42) DPP4DPP7GRIN2BGRIN1POLB
SCHEMBL602876 0.75 LMNA (0.30) LMNA
SCHEMBL13028269 0.75 AKR1C3 (0.43) GRIN2BGRIN1LMNAKCNH2ABL1
SCHEMBL2338198 0.75 HCRTR1 (0.32) DPP4DPP7POLBHTTLMNA
SCHEMBL601732 0.69 HDAC4 (0.31)
SCHEMBL601963 0.68 ADRB2 (0.36) HPGDCYP2C9MEN1KMT2A

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 KMO 868/4885DPP4 1143/4885DPP7 981/4885

“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.