SCHEMBL716684

SCHEMBL716684

C=Cc1c(N)nc(-c2ccc(F)c(C)c2)nc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
PKM P14618 5/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACLY P53396 1/20 0.36
KDR P35968 3/20 0.36
PTGS2 P35354 2/20 0.36
PDGFRB P09619 1/20 0.36
PTGS1 P23219 1/20 0.36
ERN1 O75460 1/20 0.36
TNF P01375 1/20 0.35
CHRNA7 P36544 1/20 0.35
LCK P06239 2/20 0.35
FYN P06241 2/20 0.35
CSF1R P07333 2/20 0.35
LYN P07948 2/20 0.35
KIT P10721 2/20 0.35
SRC P12931 2/20 0.35

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
SCHEMBL719542 0.91 ERN1 (0.39) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL719097 0.89 KDM4E (0.42) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL720845 0.88 MAPT (0.39) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL716661 0.88 KDM4E (0.43) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL718383 0.86 LMNA (0.41) KDM4EPKMALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL720168 0.86 MPL (0.39) KDRPDGFRBRPS6KB1LMNA
SCHEMBL16036298 0.85 KIF11 (0.42) KDRPDGFRBERN1
SCHEMBL29556077 0.85 KIF11 (0.42) KDRPDGFRBERN1
SCHEMBL719273 0.85 ERN1 (0.35) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10
SCHEMBL720191 0.84 KDM4E (0.41) KDM4EPKMALDH1A1SMN1; SMN2HSD17B10

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-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
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US 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 KDM4E 2202/4885PKM 1703/4885ALDH1A1 1043/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG KDM4E 2202/4885PKM 2730/4885ALDH1A1 3537/4885

“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.