SCHEMBL602010

SCHEMBL602010

NC(=NO)c1cc(C(F)(F)F)nc(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.36
TSHR P16473 1/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LCAT P04180 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR8 Q9NR97 1/20 0.30

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
SCHEMBL10223585 1.00 KHK (0.36) KHKTSHRHSP90AA1HSP90AB1LCAT
SCHEMBL600670 0.90 MEN1 (0.30) MEN1MAPK1KMT2A
SCHEMBL10223620 0.90 MEN1 (0.30) MEN1MAPK1KMT2A
SCHEMBL10272153 0.76 HSP90AA1 (0.33) HSP90AA1HSP90AB1KMT2A
SCHEMBL604106 0.76 HSP90AA1 (0.33) HSP90AA1HSP90AB1KMT2A
SCHEMBL603166 0.75 HSP90AA1 (0.40) HSP90AA1HSP90AB1KMT2A
SCHEMBL10223614 0.75 HSP90AA1 (0.40) HSP90AA1HSP90AB1KMT2A
SCHEMBL13028339 0.73 NPSR1 (0.37) MEN1MAPK1KMT2A
SCHEMBL2335536 0.73 NPSR1 (0.37) MEN1MAPK1KMT2A
SCHEMBL602233 0.73 HSP90AA1 (0.34) HSP90AA1HSP90AB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102428082-A Pyrimidine compounds and their use in pest control SUMITOMO CHEMICAL CO 2012-04-25 CN disclosed
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 KHK 382/4885TSHR 4045/4885HSP90AA1 3094/4885

“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.