SCHEMBL2464586

SCHEMBL2464586

COC(=O)c1nc(-c2cncnc2)cc(N)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
PKM P14618 3/20 0.41
RCE1 Q9Y256 1/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NQO2 P16083 3/20 0.40
ATR Q13535 2/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK2A1 P68400 1/20 0.37
GAA P10253 2/20 0.36
ABL1 P00519 1/20 0.36
GLA P06280 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KLK3 P07288 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL2467816 0.86 CFTR (0.49) KDM4EALDH1A1ATRGAAABL1
SCHEMBL2470390 0.83 ATR (0.41) ATRKLK3CYP17A1CYP11B1CYP11B2
SCHEMBL2468427 0.82 ALDH1A1 (0.50) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2469806 0.82 KDM4E (0.54) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2469978 0.82 KDM4E (0.43) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2468294 0.81 MAPT (0.47) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2469753 0.81 NQO2 (0.40) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2467042 0.81 ALDH1A1 (0.40) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL2466879 0.81 KDM4E (0.42) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL22366873 0.80 KDM4E (0.49) KDM4EPKMRCE1ALDH1A1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
US-8962523-B2 Herbicide/safener combination BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2015-02-19 US disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed
EP-1414814-B1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2005-02-02 EP disclosed
US-6784137-B2 SUCH AS 5,6-DICHLOROPYRIDINE-2-CARBOXYLIC ACID-N-OXIDE FOR PREEMERGENCE APPLICATION DOW AGROSCIENCES LLC 2004-08-31 US disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 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 (3 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-20100137137-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT KDM4E 969/4885PKM 2868/4885RCE1 2703/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 KDM4E 4579/4885PKM 3491/4885RCE1 3721/4885

“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.