SCHEMBL406493

SCHEMBL406493

Brc1ccc2cn[c]nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.42
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NOS1 P29475 2/20 0.37
METAP2 P50579 2/20 0.37
DYRK1A Q13627 1/20 0.37
PABPC1 P11940 1/20 0.36
CYP2A6 P11509 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
TLR2 O60603 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL16174440 0.84 BACE1 (0.46) BACE1HTTCYP1A2CYP2C19NOS1
SCHEMBL407628 0.76 NR4A2 (0.41) BACE1CYP1A2NOS1DYRK1ACYP2A6
SCHEMBL2303882 0.76 CYP1A2 (0.45) BACE1CYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL406789 0.76 BACE1 (0.41) BACE1CYP1A2CYP2A6KDM4EALDH1A1
SCHEMBL407150 0.72 BACE1 (0.46) BACE1METAP2DYRK1AKDM4EMEN1
SCHEMBL5337105 0.72 EGFR (0.53) CYP1A2CYP2A6KDM4EMEN1ALDH1A1
SCHEMBL3032 0.70 ALDH1A1 (0.44) BACE1CYP1A2KDM4EALDH1A1MAPT
SCHEMBL3525983 0.69 ALDH1A1 (0.44) CYP1A2CYP2A6KDM4EALDH1A1MAPT
SCHEMBL208857 0.69 BACE1 (0.48) BACE1HTTCYP1A2CYP2C19NOS1
SCHEMBL5332626 0.68 ABL1 (0.37) CYP1A2CYP2C19DYRK1AKDM4EALDH1A1

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 18 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
CN-115768750-A GCN2 modulator compounds 阿莱斯塔治疗公司 2023-03-07 CN disclosed
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-20120021909-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

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 BACE1 1901/4885HTT 584/4885CYP1A2 67/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885HTT 584/4885CYP1A2 67/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1253/4885HTT 414/4885CYP1A2 11/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885HTT 584/4885CYP1A2 67/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 BACE1 1901/4885HTT 584/4885CYP1A2 67/4885

“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.