SCHEMBL717010

SCHEMBL717010

C=Cc1c(N)nc(-c2ccc(OC(F)(F)F)cc2)nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.46
CHRNA7 P36544 9/20 0.44
TLR7 Q9NYK1 1/20 0.41
FPR2 P25090 2/20 0.41
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
LIPE Q05469 1/20 0.38
EPHB4 P54760 1/20 0.38
TEK Q02763 1/20 0.38
CYP2C9 P11712 1/20 0.37
CFTR P13569 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 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
SCHEMBL719375 0.87 ADORA3 (0.41) ADORA3TLR7FPR2SCN9AKDM4E
SCHEMBL718383 0.86 LMNA (0.41) ADORA3FPR2SCN9AKDM4EPKM
SCHEMBL719539 0.86 CA12 (0.47) KDM4EPKML3MBTL1
SCHEMBL16035755 0.86 KDM4E (0.40) KDM4EPKML3MBTL1
SCHEMBL720191 0.84 KDM4E (0.41) ADORA3KDM4EPKML3MBTL1
SCHEMBL721162 0.84 KDM4E (0.51) ADORA3KDM4EPKML3MBTL1
SCHEMBL719484 0.83 RAB9A (0.41) KDM4EPKML3MBTL1
SCHEMBL16036947 0.83 KDM4E (0.39) KDM4EPKML3MBTL1
SCHEMBL16075405 0.82 CHRNA7 (0.49) ADORA3CHRNA7TLR7FPR2SCN9A
SCHEMBL16047514 0.82 KCNH2 (0.42) FPR2SCN9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
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-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 WO 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 (2 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 445/4885CHRNA7 4063/4885TLR7 4423/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ADORA3 2014/4885CHRNA7 4860/4885TLR7 4412/4885

“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.