SCHEMBL601207

SCHEMBL601207

O=c1onc(-c2cc(C(F)(F)F)nc(C3CC3)n2)n1CC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.37
KHK P50053 2/20 0.35
LCAT P04180 1/20 0.33
P2RX7 Q99572 1/20 0.33
PTGS2 P35354 4/20 0.33
PTGS1 P23219 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR8 Q9NR97 1/20 0.32
PDE1A P54750 3/20 0.32
PDE1B Q01064 3/20 0.32
PDE1C Q14123 3/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL601045 0.96 KHK (0.34) TLR7KHKLCATP2RX7KDM4E
SCHEMBL602276 0.84 KHK (0.36) TLR7KHKLCATKDM4ETP53
SCHEMBL603092 0.78 KHK (0.36) KHKLCATMEN1POLBKMT2A
SCHEMBL601603 0.76 ALDH1A1 (0.36) KHKKMT2AKDM4ETP53HPGD
SCHEMBL601874 0.75 KHK (0.36) KHKLCATMEN1KMT2AHPGD
SCHEMBL2338895 0.69 GRIN1 (0.40) P2RX7CNR2
SCHEMBL602766 0.68 LCAT (0.35) KHKLCATTLR8HPGDCNR2
SCHEMBL603341 0.67 GAA (0.33) HPGD
SCHEMBL600458 0.65 TLR7 (0.31) TLR7
SCHEMBL602765 0.64 LCAT (0.36) KHKLCATTLR8KDM4EHPGD

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 TLR7 1910/4885KHK 382/4885LCAT 3531/4885

“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.