SCHEMBL721819

SCHEMBL721819

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
RXRA P19793 3/20 0.39
NR4A2 P43354 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
TPH1 P17752 2/20 0.38
CFTR P13569 1/20 0.38
PDE4B Q07343 3/20 0.38
PDE4D Q08499 3/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN9A Q15858 2/20 0.36
PLAU P00749 1/20 0.36
FPR2 P25090 1/20 0.36
IKBKB O14920 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL720879 0.86 DPP4 (0.47) DPP4ADORA3TPH1CFTRMAPT
SCHEMBL10252005 0.86 PDE4B (0.47) DPP4RXRANR4A2PDE4BPDE4D
SCHEMBL719622 0.84 DPP4 (0.46) DPP4ADORA3TPH1CFTRTP53
SCHEMBL719375 0.83 ADORA3 (0.41) DPP4ADORA3TPH1CFTRMAPT
SCHEMBL718682 0.79 ADORA3 (0.43) DPP4ADORA3CFTRMAPTSMN1; SMN2
SCHEMBL720166 0.79 ADORA3 (0.44) DPP4ADORA3TPH1CFTRMAPT
SCHEMBL716704 0.78 ADORA3 (0.45) DPP4ADORA3TPH1CFTRTP53
SCHEMBL718191 0.78 ADORA3 (0.40) DPP4RXRAADORA3TPH1CFTR
SCHEMBL10286724 0.78 ADORA3 (0.40) DPP4RXRAADORA3TPH1CFTR
SCHEMBL718190 0.78 ADORA3 (0.40) DPP4RXRAADORA3TPH1CFTR

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 3 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
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 913/4885RXRA 2510/4885NR4A2 1810/4885

“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.