SCHEMBL718190

SCHEMBL718190

C/C=C\c1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.40
CFTR P13569 1/20 0.40
RXRA P19793 1/20 0.39
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
DPP4 P27487 2/20 0.38
TPH1 P17752 2/20 0.37
PLAU P00749 1/20 0.37
FPR2 P25090 2/20 0.37
SCN9A Q15858 2/20 0.37
IKBKB O14920 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CISD2 Q8N5K1 1/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL10286724 1.00 ADORA3 (0.40) ADORA3CFTRRXRAPDGFRBKDR
SCHEMBL718191 1.00 ADORA3 (0.40) ADORA3CFTRRXRAPDGFRBKDR
SCHEMBL719375 0.87 ADORA3 (0.41) ADORA3CFTRPDGFRBKDRDPP4
SCHEMBL10252392 0.86 KDM4E (0.41) ADORA3KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL718682 0.81 ADORA3 (0.43) ADORA3CFTRPDGFRBKDRDPP4
SCHEMBL716704 0.80 ADORA3 (0.45) ADORA3CFTRPDGFRBKDRDPP4
SCHEMBL720879 0.79 DPP4 (0.47) ADORA3CFTRDPP4TPH1PLAU
SCHEMBL720166 0.78 ADORA3 (0.44) ADORA3CFTRPDGFRBKDRDPP4
SCHEMBL721819 0.78 DPP4 (0.44) ADORA3CFTRRXRADPP4TPH1
SCHEMBL719622 0.77 DPP4 (0.46) ADORA3CFTRDPP4TPH1PLAU

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
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 ADORA3 445/4885CFTR 4034/4885RXRA 2510/4885

“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.