SCHEMBL404365

SCHEMBL404365

Clc1ccc2nc[c]nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
DYRK1A Q13627 1/20 0.42
NR4A2 P43354 3/20 0.38
PIK3CG P48736 1/20 0.37
SOS2 Q07890 1/20 0.36
ALDH1A1 P00352 3/20 0.34
PARP1 P09874 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 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
SCHEMBL405980 0.92 F7 (0.42) F7F3DYRK1ANR4A2PIK3CG
SCHEMBL4742084 0.76 MAPK13 (0.37) DYRK1A
SCHEMBL405781 0.75 HTT (0.38) ALDH1A1MAPTTDP1HTTCYP1A2
SCHEMBL2305037 0.75 NQO2 (0.42) ALDH1A1PARP1RAB9AKDM4EMEN1
SCHEMBL406463 0.71 KDM4E (0.43) DYRK1APARP1KDM4E
SCHEMBL1973 0.70 MAPT (0.36) ALDH1A1KDM4EHSD17B10MAPTTDP1
SCHEMBL780179 0.70 NR4A2 (0.56) F7F3DYRK1ANR4A2PIK3CG
SCHEMBL209220 0.69 SMN1; SMN2 (0.32) RAB9ANPC1FGFR3KDRPDGFRB
SCHEMBL2511032 0.69
Bromide SCHEMBL11411808 0.69 NR4A2 (0.54) F7F3DYRK1ANR4A2PIK3CG

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US claimed
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO claimed
WO-2012085852-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
WO-2012085857-A1 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-06-28 WO claimed
CN-1688547-A A-'7-halo-2-quino (xa-) linyloxy!phenoxy-propionic acid derivatives as antineoplastic agents UNIV WAYNE STATE (US) 2005-10-26 CN claimed
EP-0268554-B1 1,5-DIPHENYL PYRAZOLE-3-CARBONIC-ACID DERIVATIVES FOR THE PROTECTION OF CULTURED PLANTS CIBA-GEIGY AG (CH) 1991-12-27 EP claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP disclosed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP disclosed
US-9102642-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and methods of controlling weeds SYNGENTA LIMITED (GB) 2015-08-11 US disclosed
EP-2393796-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2015-02-25 EP disclosed
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
WO-2008107398-A2 PYRAZINE COMPOUNDS BASF SE (DE) 2008-09-12 WO disclosed
CN-101155577-A Local treatment of neurofibromas NEXGENIX PHARMACEUTICALS L L C (US) 2008-04-02 CN disclosed
CN-101011349-A Slow release injection containing mtrosourea medicament and topoisomerase inhibitor JINAN SHUAIHUA PHARM TECHNOLOG (CN) 2007-08-08 CN disclosed
CN-101011341-A Slow release injection containing anti-metabolism medicament and topoisomerase inhibitor JINAN KANGQUAN PHARM TECHNOLOG (CN) 2007-08-08 CN disclosed
CN-1824319-A Hormone kind anticancer medicine slow release agent JINAN KANGQUAN MEDICINE SCI & (CN) 2006-08-30 CN disclosed
CN-1688547-A A-'7-halo-2-quino (xa-) linyloxy!phenoxy-propionic acid derivatives as antineoplastic agents UNIV WAYNE STATE (US) 2005-10-26 CN 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 (1 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4680/4885F3 4491/4885DYRK1A 943/4885

“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.