SCHEMBL719674

SCHEMBL719674

C=C(OCC)c1ccc(-c2nc(N)c(C(C)=O)c(C(=O)OC)n2)c(F)c1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 4/20 0.32
NPC1 O15118 4/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KMT2A Q03164 5/20 0.32
LMNA P02545 2/20 0.32
PRKCZ Q05513 1/20 0.32
MEN1 O00255 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRM6 O15303 1/20 0.30
TBK1 Q9UHD2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PKM P14618 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30

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
SCHEMBL718767 0.87 KDM4E (0.34) RAB9AKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL718835 0.84 KDM4E (0.35) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL13893296 0.84 RAB9A (0.35) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL719379 0.80 TAS1R3 (0.38) RAB9AKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL718435 0.76 TAS1R3 (0.37) RAB9AKDM4EHSD17B10ALDH1A1NPC1
SCHEMBL720342 0.76 TP53 (0.34) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL10286220 0.75 ALDH1A1 (0.36) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL1917989 0.74 TAS1R3 (0.37) KDM4EHSD17B10ALDH1A1SMN1; SMN2KMT2A
SCHEMBL10255571 0.73 KDM4E (0.39) RAB9AKDM4ETP53HSD17B10ALDH1A1
SCHEMBL721102 0.71 KDM4E (0.35) RAB9AKDM4EALDH1A1NPC1SMN1; 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 1 patent. 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

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 RAB9A 3566/4885KDM4E 2202/4885TP53 664/4885

“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.