SCHEMBL404299

SCHEMBL404299

Brc1ccc2nn[c]nc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.41
BACE1 P56817 2/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CHEK1 O14757 1/20 0.31
PIM1 P11309 1/20 0.31
AKT1 P31749 1/20 0.31
FLT3 P36888 1/20 0.31
PIM3 Q86V86 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL408054 0.92 PABPC1 (0.46) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL95080 0.70 GPR3 (0.38) ALDH1A1
SCHEMBL407901 0.67 PIK3CG (0.46) BACE1CYP1A2PIK3R1PIK3CACHEK1
SCHEMBL405781 0.67 HTT (0.38) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL16174440 0.65 BACE1 (0.46) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL206933 0.65 BACE1 (0.42) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL406493 0.65 BACE1 (0.42) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL483060 0.64 PABPC1 (0.58) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL6367202 0.62 PABPC1 (0.50) PABPC1BACE1HTTCYP1A2CYP2C19
SCHEMBL11518864 0.62 PABPC1 (0.50) PABPC1BACE1HTTCYP1A2CYP2C19

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-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 PABPC1 3480/4885BACE1 1901/4885HTT 584/4885
US-20120021909-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PABPC1 3480/4885BACE1 1901/4885HTT 584/4885
US-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PABPC1 3888/4885BACE1 1253/4885HTT 414/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PABPC1 3480/4885BACE1 1901/4885HTT 584/4885
US-20120028800-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 PABPC1 3480/4885BACE1 1901/4885HTT 584/4885

“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.