SCHEMBL3326378

SCHEMBL3326378

COC(=O)c1nc(-c2ncc(Cl)cn2)cc(NC(C)=O)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
PTK2 Q05397 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KDM4E B2RXH2 3/20 0.35
IAPP P10997 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NQO2 P16083 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
S1PR3 Q99500 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL24986375 0.84 ALDH1A1 (0.40) ALDH1A1PTK2MEN1KMT2AIAPP
SCHEMBL2469495 0.81 ADORA3 (0.53) ALDH1A1MEN1KMT2AADORA3KDM4E
SCHEMBL2467042 0.80 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AADORA3KDM4E
SCHEMBL2338797 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EIAPPNQO2LMNA
SCHEMBL32669001 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EIAPPNQO2LMNA
SCHEMBL2468338 0.78 PKM (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL22366803 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AKDM4EIAPP
SCHEMBL2467108 0.78 ADORA3 (0.53) ALDH1A1MEN1KMT2AADORA3KDM4E
SCHEMBL3328010 0.77 AGER (0.45) ALDH1A1MEN1KMT2AMAPT
SCHEMBL3329878 0.77 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AADORA3KDM4E

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
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
US-20100137137-A1 HERBICIDE/SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 US 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 ALDH1A1 209/4885PTK2 4801/4885MEN1 3489/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT ALDH1A1 713/4885PTK2 2594/4885MEN1 4459/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 ALDH1A1 209/4885PTK2 4801/4885MEN1 3489/4885

“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.