SCHEMBL720879

SCHEMBL720879

CCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
ADORA3 P0DMS8 1/20 0.42
DHFR P00374 3/20 0.42
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
CFTR P13569 1/20 0.41
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
PLAU P00749 1/20 0.39
TPH1 P17752 2/20 0.39
SCN9A Q15858 2/20 0.38
IKBKB O14920 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL719622 0.91 DPP4 (0.46) DPP4ADORA3DHFRHEXAHEXB
SCHEMBL721819 0.86 DPP4 (0.44) DPP4ADORA3CFTRMAPTPLAU
SCHEMBL10255585 0.85 DPP4 (0.45) DPP4ADORA3DHFRMAPTKDM4E
SCHEMBL718682 0.83 ADORA3 (0.43) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL719375 0.82 ADORA3 (0.41) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL716704 0.82 ADORA3 (0.45) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL718687 0.80 RAB9A (0.45) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL720166 0.80 ADORA3 (0.44) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL10286724 0.79 ADORA3 (0.40) DPP4ADORA3CFTRMAPTKDM4E
SCHEMBL718191 0.79 ADORA3 (0.40) DPP4ADORA3CFTRMAPTKDM4E

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
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP disclosed
WO-2010092339-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LIMITED (GB) 2010-08-19 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP DPP4 913/4885ADORA3 445/4885DHFR 5/4885

“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.