SCHEMBL719622

SCHEMBL719622

CCCc1c(N)nc(-c2ccc(C(F)(F)F)cc2)nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.46
ADORA3 P0DMS8 1/20 0.43
MCHR1 Q99705 4/20 0.42
CFTR P13569 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 3/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DHFR P00374 1/20 0.38
HSP90AA1 P07900 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HEXA P06865 1/20 0.38
HEXB P07686 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
SCHEMBL720879 0.91 DPP4 (0.47) DPP4ADORA3CFTRHDAC1HDAC2
SCHEMBL10252206 0.86 DPP4 (0.43) DPP4ADORA3MAPTTP53SMN1; SMN2
SCHEMBL721819 0.84 DPP4 (0.44) DPP4ADORA3CFTRMAPTTP53
SCHEMBL718682 0.81 ADORA3 (0.43) DPP4ADORA3CFTRMAPTSMN1; SMN2
SCHEMBL719375 0.81 ADORA3 (0.41) DPP4ADORA3CFTRMAPTSMN1; SMN2
SCHEMBL716704 0.80 ADORA3 (0.45) DPP4ADORA3CFTRMAPTTP53
SCHEMBL718687 0.78 RAB9A (0.45) DPP4ADORA3CFTRMAPTTP53
SCHEMBL720166 0.78 ADORA3 (0.44) DPP4ADORA3CFTRMAPTSMN1; SMN2
SCHEMBL718191 0.77 ADORA3 (0.40) DPP4ADORA3CFTRMAPTSMN1; SMN2
SCHEMBL10286724 0.77 ADORA3 (0.40) DPP4ADORA3CFTRMAPTSMN1; SMN2

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 DPP4 913/4885ADORA3 445/4885MCHR1 4343/4885

“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.