SCHEMBL601194

SCHEMBL601194

O=c1nc(-c2cc(-c3cccc(C(F)(F)F)c3)ncn2)[nH]o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.52
XDH P47989 1/20 0.46
NOTUM Q6P988 1/20 0.42
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PGR P06401 1/20 0.41
SCN2A Q99250 3/20 0.41
FAAH O00519 1/20 0.41
CTSS P25774 2/20 0.40
MAOB P27338 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
GPX4 P36969 1/20 0.40
GSK3B P49841 1/20 0.40
PIM3 Q86V86 1/20 0.40
BRSK1 Q8TDC3 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40
MAPK14 Q16539 1/20 0.39
CTSK P43235 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
SCHEMBL1935750 0.85 KMO (0.45) KMOXDHNOTUMIDO1PGR
SCHEMBL601195 0.78 KMO (0.59) KMOXDHNOTUMIDO1KDM4E
SCHEMBL603109 0.77 KMO (0.51) KMONOTUMKDM4EALDH1A1
SCHEMBL1935082 0.75 RAF1 (0.46) KDM4EALDH1A1
SCHEMBL27764806 0.71 KMO (0.62) KMOXDHNOTUMIDO1KDM4E
SCHEMBL603190 0.71 L3MBTL1 (0.33) KDM4EALDH1A1
SCHEMBL2221769 0.71 MPL (0.41)
SCHEMBL1935549 0.71 ALOX5AP (0.40)
SCHEMBL1934823 0.71 JAK2 (0.39) KMONOTUMGSK3B
SCHEMBL601224 0.70 KMO (0.61) KMOXDHIDO1KDM4EALDH1A1

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 868/4885XDH 339/4885NOTUM 334/4885

“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.