SCHEMBL403089

SCHEMBL403089

Clc1ccc2nn[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
PIK3CG P48736 2/20 0.41
NR4A2 P43354 3/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL407901 0.92 PIK3CG (0.46) F7F3DYRK1APIK3CGNR4A2
SCHEMBL95080 0.70 GPR3 (0.38) ALDH1A1MAPTKDM4EHSD17B10TDP1
SCHEMBL404365 0.67 F7 (0.42) F7F3DYRK1APIK3CGNR4A2
SCHEMBL404311 0.65 HTR3A (0.41) F7F3DYRK1APIK3CGNR4A2
SCHEMBL407628 0.65 NR4A2 (0.41) F7F3DYRK1APIK3CGNR4A2
SCHEMBL208656 0.65 NR4A2 (0.41) F7F3DYRK1APIK3CGNR4A2
SCHEMBL11251348 0.65 PIK3CG (0.64) F7F3DYRK1APIK3CGNR4A2
SCHEMBL5157381 0.64 PIK3CG (0.58) F7F3DYRK1APIK3CGNR4A2
SCHEMBL8403407 0.64 F7 (0.43) F7F3DYRK1APIK3CGNR4A2
SCHEMBL11517352 0.62 SMN1; SMN2 (0.52) F7F3DYRK1APIK3CGNR4A2

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 17 patents. 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
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
EP-2393769-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-12-10 EP disclosed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US disclosed
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 disclosed
US-8680339-B2 Herbicides SYNGENTA LIMITED (GB) 2014-03-25 US disclosed
US-20120028800-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-02-02 US disclosed
US-20120021912-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US disclosed
US-20120021909-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 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 (5 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-20120021912-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4643/4885F3 4687/4885DYRK1A 1413/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4643/4885F3 4687/4885DYRK1A 1413/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4680/4885F3 4491/4885DYRK1A 943/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4643/4885F3 4687/4885DYRK1A 1413/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 F7 4643/4885F3 4687/4885DYRK1A 1413/4885

“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.