SCHEMBL720166

SCHEMBL720166

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
CFTR P13569 1/20 0.40
SCN9A Q15858 6/20 0.39
FPR2 P25090 2/20 0.39
CISD2 Q8N5K1 1/20 0.39
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TPH1 P17752 2/20 0.38
PLAU P00749 1/20 0.38
IKBKB O14920 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PDGFRB P09619 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL716704 0.91 ADORA3 (0.45) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL718687 0.86 RAB9A (0.45) ADORA3CFTRCISD2DPP4KDM4E
SCHEMBL10252394 0.85 KDM4E (0.44) ADORA3KDM4EKMT2AMEN1NPC1
SCHEMBL718682 0.82 ADORA3 (0.43) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL719375 0.81 ADORA3 (0.41) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL720879 0.80 DPP4 (0.47) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL721819 0.79 DPP4 (0.44) ADORA3CFTRSCN9AFPR2DPP4
SCHEMBL10286724 0.78 ADORA3 (0.40) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL718191 0.78 ADORA3 (0.40) ADORA3CFTRSCN9AFPR2CISD2
SCHEMBL719622 0.78 DPP4 (0.46) ADORA3CFTRSCN9AFPR2DPP4

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 2 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
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 4034/4885SCN9A 4093/4885

“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.