SCHEMBL601281

SCHEMBL601281

COc1nc(O)cc(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 5/20 0.37
MAPT P10636 4/20 0.36
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
GAA P10253 2/20 0.36
NT5E P21589 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.33
PTGS1 P23219 2/20 0.33

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
SCHEMBL3308972 0.82 HRH4 (0.49) HSD17B10KDM4EMAPTLMNAHRH4
SCHEMBL5998545 0.80 PTGS1 (0.51) HSD17B10KDM4ELMNAHSP90AA1HSP90AB1
SCHEMBL1285445 0.79 LMNA (0.42) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL17772772 0.78 HSD17B10 (0.56) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL7769381 0.78 PTGS2 (0.46) HSD17B10MAPTLMNAHSP90AA1HSP90AB1
SCHEMBL15623923 0.77 HSD17B10 (0.54) HSD17B10KDM4EMAPTLMNAMAPK1
SCHEMBL7769189 0.76 ESR1 (0.40) HSD17B10LMNAKMT2AMEN1PTGS1
SCHEMBL603692 0.74 HSP90AA1 (0.44) HSD17B10KDM4EMAPTLMNAHSP90AA1
SCHEMBL9013519 0.73 KDM4E (0.55) HSD17B10KDM4EMAPTMAPK1L3MBTL1
SCHEMBL1258669 0.73 HSP90AA1 (0.38) HSD17B10KDM4EMAPTLMNAHSP90AA1

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
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
EP-0798297-B1 Process for the preparation of 2-alkoxy-6-(trifluoromethyl)-pyrimidine-4-ol LONZA AG (CH) 2001-10-31 EP 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 HSD17B10 3869/4885KDM4E 1030/4885MAPT 3666/4885

“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.