SCHEMBL2469142

SCHEMBL2469142

COc1ccc(-c2nc(C(=O)O)c(Cl)c(N)c2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.43
KMT2A Q03164 1/20 0.43
IKBKB O14920 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PKM P14618 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL2492961 0.88 KDM4E (0.53) PDCD1CD274ADORA2AADORA1KMT2A
SCHEMBL20727095 0.84 TDP1 (0.51) PDCD1CD274TDP1ADORA2AADORA1
SCHEMBL2465142 0.84 TDP1 (0.54) TDP1ADORA2AADORA1KMT2AIKBKB
SCHEMBL16075449 0.83 DHODH (0.46) TDP1ADORA2ADHODH
SCHEMBL16075406 0.83 TDP1 (0.44) TDP1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL25907130 0.82 TDP1 (0.53) TDP1ADORA2AADORA1DHODHKDM4E
SCHEMBL2467801 0.82 TDP1 (0.56) TDP1ADORA2AADORA1KMT2ADHODH
SCHEMBL16075485 0.81 TDP1 (0.51) TDP1KMT2ADHODHKDM4EPKM
SCHEMBL16075456 0.81 TDP1 (0.51) TDP1ADORA2AADORA1KMT2ADHODH
SCHEMBL2469144 0.81 PDCD1 (0.46) PDCD1CD274TDP1ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105028414-A HERBICIDE-SAFENER COMBINATION BAYER IP GMBH 2015-11-11 CN disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-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
EP-1414814-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES Dow Agrosciences LLC (US) 2004-05-06 EP disclosed
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides CORTEVA AGRISCIENCE LLC 2003-06-19 US disclosed
WO-2003011853-A1 6-ARYL-4-AMINOPICOLINATES AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2003-02-13 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 (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 PDCD1 1782/4885CD274 3162/4885TDP1 281/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT PDCD1 1329/4885CD274 2391/4885TDP1 3914/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 PDCD1 1782/4885CD274 3162/4885TDP1 281/4885

“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.