SCHEMBL720191

SCHEMBL720191

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
PKM P14618 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 5/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 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
SCHEMBL16035755 0.91 KDM4E (0.40) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL719539 0.91 CA12 (0.47) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL721162 0.90 KDM4E (0.51) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL16036947 0.89 KDM4E (0.39) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL719484 0.89 RAB9A (0.41) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL718383 0.89 LMNA (0.41) KDM4EALDH1A1PKMSMN1; SMN2L3MBTL1
SCHEMBL27846667 0.86 LOXL2 (0.47) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL717047 0.86 ADORA3 (0.40) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL10252392 0.86 KDM4E (0.41) KDM4EALDH1A1PKMHSD17B10HPGD
SCHEMBL10087229 0.85 SCN9A (0.37) KDM4EALDH1A1PKMHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3440938-A1 4-AMINO-6-(4-SUBSTITUTED-PHENYL)-PICOLINATES AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 2019-02-13 EP 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
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
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 KDM4E 2202/4885ALDH1A1 1043/4885PKM 1703/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG KDM4E 2202/4885ALDH1A1 3537/4885PKM 2730/4885

“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.