SCHEMBL601277

SCHEMBL601277

CC(C)c1nc(O)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
SORD Q00796 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LCAT P04180 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
PTGS2 P35354 2/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 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
SCHEMBL18471442 0.86 CYP2C19 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL1222042 0.79 ADORA2A (0.36) CYP3A4TSHRLMNAALDH1A1ADORA2A
SCHEMBL17618310 0.78 HSP90AA1 (0.55) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL16648733 0.77 CYP2C19 (0.43) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL22681502 0.74 GAA (0.47) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL603692 0.74 HSP90AA1 (0.44) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL22681330 0.73 GPR84 (0.40) PTGS2
SCHEMBL22681352 0.73 GPR84 (0.40) PTGS2
SCHEMBL7457755 0.73 TLR7 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL601855 0.73 CYP2C19 (0.40) CYP3A4CYP2D6TSHRCRHBPCYP2C19

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
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
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 CYP3A4 1535/4885CYP2D6 546/4885TSHR 4045/4885

“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.