SCHEMBL599646

SCHEMBL599646

Cc1nc(N)nc(N[C@@H]2CCc3ccccc32)n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
ROCK1 Q13464 1/20 0.45
PFKFB3 Q16875 8/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
IDH1 O75874 2/20 0.43
FADS1 O60427 1/20 0.43
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
BCHE P06276 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR6 P50406 1/20 0.43
ADORA2A P29274 1/20 0.42

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
SCHEMBL6391093 1.00 PDPK1 (0.49) PDPK1ROCK1PFKFB3CA1CA2
SCHEMBL21524773 0.92 PFKFB3 (0.52) PFKFB3ADRA2BADRA2CADRA1A
SCHEMBL11960159 0.84 TAS1R3 (0.43) PDPK1PFKFB3HTR6ADORA2A
SCHEMBL11960083 0.84 PFKFB3 (0.37) ROCK1PFKFB3MAOAMAOB
SCHEMBL11960114 0.84 TAS1R3 (0.43) PDPK1PFKFB3HTR6ADORA2A
SCHEMBL11960137 0.84 PFKFB3 (0.37) ROCK1PFKFB3MAOAMAOB
SCHEMBL783904 0.84 PFKFB3 (0.49) PDPK1ROCK1PFKFB3IDH1FADS1
SCHEMBL8216720 0.83 PDPK1 (0.46) PDPK1ROCK1CA1CA2IDH1
SCHEMBL1976205 0.82 PFKFB3 (0.57) PFKFB3ADRA2BADRA2CADRA1A
SCHEMBL1552285 0.81 PDPK1 (0.43) PDPK1ROCK1CA1CA2IDH1

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
US-RE47666-E1 Herbicidal compositions BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-10-29 US disclosed
US-RE46095-E1 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-09 US disclosed
US-RE46095-E1 Herbicidal compositions BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-08-09 US disclosed
US-8586503-B2 Herbicidal compositions BAYER CROPSCIENCE AG (DE) 2013-11-19 US disclosed
US-8426342-B2 Method for weed control in lawn BAYER CROPSCIENCE AG (DE) 2013-04-23 US disclosed
US-8426342-B2 Method for weed control in lawn BAYER CROPSCIENCE AG (DE) 2013-04-23 US disclosed
US-8236729-B2 Synergistic mixtures BAYER CROPSCIENCE AG (DE) 2012-08-07 US disclosed
US-8236729-B2 Synergistic mixtures BAYER CROPSCIENCE AG (DE) 2012-08-07 US disclosed
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-20100048399-A1 HERBICIDAL COMPOSITIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20100048399-A1 HERBICIDAL COMPOSITIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-02-25 US disclosed
US-20100016158-A1 METHOD FOR WEED CONTROL IN LAWN BAYER CROPSCIENCE AG (DE) 2010-01-21 US disclosed
EP-1592674-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience GmbH (DE) 2005-11-09 EP disclosed
WO-2004069814-A1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE GMBH (DE) 2004-08-19 WO disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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 (4 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 PDPK1 2571/4885ROCK1 1743/4885PFKFB3 2690/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 PDPK1 2642/4885ROCK1 1606/4885PFKFB3 2148/4885
US-20100016158-A1 METHOD FOR WEED CONTROL IN LAWN NOTUM, RDX, WASF2 PDPK1 4656/4885ROCK1 1115/4885PFKFB3 2011/4885
US-20100048399-A1 HERBICIDAL COMPOSITIONS KCNH1, HRH4, KCNH2 PDPK1 2845/4885ROCK1 4848/4885PFKFB3 1432/4885

“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.