SCHEMBL718687

SCHEMBL718687

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 4/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
ADORA3 P0DMS8 2/20 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
SCHEMBL3779067 0.88 XPO1 (0.47) RAB9AKDM4ETP53HSD17B10MAPT
SCHEMBL10252070 0.88 RAB9A (0.49) RAB9AKDM4ETP53HSD17B10MAPT
SCHEMBL720166 0.86 ADORA3 (0.44) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL716704 0.83 ADORA3 (0.45) RAB9AKDM4ETP53HSD17B10MAPT
SCHEMBL719375 0.81 ADORA3 (0.41) KDM4EMAPTMEN1HSP90AA1CRHBP
SCHEMBL720879 0.80 DPP4 (0.47) KDM4EMAPTMEN1HSP90AA1CRHBP
SCHEMBL1397103 0.78 MAPT (0.47) RAB9AKDM4ETP53HSD17B10MAPT
SCHEMBL719622 0.78 DPP4 (0.46) KDM4ETP53MAPTMEN1HSP90AA1
SCHEMBL718682 0.78 ADORA3 (0.43) RAB9AKDM4EMAPTMEN1KMT2A
SCHEMBL721819 0.77 DPP4 (0.44) TP53MAPTADORA3DPP4SMN1; 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 4 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
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 US disclosed
EP-2396306-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES Syngenta Limited (GB) 2011-12-21 EP 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 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.