SCHEMBL3333414

SCHEMBL3333414

COC(=O)c1nc(-c2ccccn2)cc(N)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
KDM4E B2RXH2 3/20 0.43
AXL P30530 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SQOR Q9Y6N5 1/20 0.41
NQO2 P16083 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ADORA3 P0DMS8 5/20 0.40
ALDH1A1 P00352 2/20 0.40
CASP1 P29466 1/20 0.40
CYP3A4 P08684 1/20 0.39
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TGFBR1 P36897 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL2465823 0.84 CCR1 (0.49) CCR1CCR5CCR8KDM4ENPSR1
SCHEMBL2468427 0.83 ALDH1A1 (0.50) KDM4ENPSR1NQO2HSD17B10ADORA3
SCHEMBL2468813 0.82 ABL1 (0.47) KDM4ENPSR1NQO2ALDH1A1L3MBTL1
SCHEMBL9939744 0.82 ALDH1A1 (0.43) KDM4ENQO2HSD17B10ALDH1A1L3MBTL1
SCHEMBL3329032 0.81 ALDH1A1 (0.48) KDM4ENPSR1NQO2HSD17B10ADORA3
SCHEMBL3330056 0.81 PRKDC (0.44) KDM4ENQO2HSD17B10ALDH1A1CYP3A4
SCHEMBL2470030 0.80 PRKDC (0.44) KDM4ENQO2HSD17B10ALDH1A1L3MBTL1
SCHEMBL2464678 0.79 ATR (0.51) KDM4ENQO2ALDH1A1CYP3A4L3MBTL1
SCHEMBL2468298 0.79 ADORA2A (0.44) KDM4ENQO2ADORA3ALDH1A1
SCHEMBL2463088 0.79 HSP90AA1 (0.53) KDM4ENQO2HSD17B10ADORA3ALDH1A1

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
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 CCR1 3570/4885CCR5 4589/4885CCR8 3756/4885
US-20030114311-A1 6-Aryl-4-aminopicolinates and their use as herbicides AADAC, DDT, AADAT CCR1 2538/4885CCR5 2915/4885CCR8 3557/4885
US-20150051074-A1 HERBICIDE/SAFENER COMBINATION DDT, CYP2W1, GAP43 CCR1 3570/4885CCR5 4589/4885CCR8 3756/4885

“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.