SCHEMBL1551689

SCHEMBL1551689

CC(C)(F)c1nc(N)nc(N[C@@H]2CCc3ccccc32)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
ROCK1 Q13464 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
FADS1 O60427 1/20 0.39
ADORA2A P29274 1/20 0.39
BRS3 P32247 1/20 0.39
PRKCQ Q04759 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
BCHE P06276 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR6 P50406 1/20 0.39
IDH1 O75874 2/20 0.38
P2RX7 Q99572 2/20 0.37
EGFR P00533 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL1552285 1.00 PDPK1 (0.43) PDPK1ROCK1CA1CA2FADS1
SCHEMBL3212547 0.93 LMNA (0.45) ADRA2BADRA2CADRA1A
SCHEMBL1551824 0.93 LMNA (0.45) ADRA2BADRA2CADRA1A
SCHEMBL1551901 0.93 LMNA (0.45) ADRA2BADRA2CADRA1A
SCHEMBL1552304 0.86 TAS1R3 (0.39) PDPK1ADORA2A
SCHEMBL1551773 0.86 TAS1R3 (0.39) PDPK1ADORA2A
SCHEMBL1551232 0.86 TAS1R3 (0.39) PDPK1ADORA2A
SCHEMBL11960084 0.85 IDO1 (0.34) ROCK1HTR6
SCHEMBL1551743 0.85 KCNH2 (0.35) ROCK1
SCHEMBL11960138 0.85 IDO1 (0.34) ROCK1HTR6

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 15 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
EP-2012588-B1 AQUEOUS SUSPENSION CONCENTRATE BAYER CROPSCIENCE AG (DE) 2011-04-27 EP 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-1958509-A1 Herbicide combination Bayer CropScience AG (DE) 2008-08-20 EP disclosed
EP-1854355-A1 Aqueous suspension concentrates Bayer CropScience AG (DE) 2007-11-14 EP disclosed
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-09-20 US disclosed
US-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES BAYER CROPSCIENCE GMBH (DE) 2007-05-31 US disclosed
EP-1790227-A1 Aqueous suspension-concentrates of 2,4-diamino-s-triazine herbicides Bayer CropScience AG (DE) 2007-05-30 EP 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-20100016158-A1 METHOD FOR WEED CONTROL IN LAWN NOTUM, RDX, WASF2 PDPK1 4656/4885ROCK1 1115/4885CA1 350/4885
US-20070123424-A1 AQUEOUS SUSPENSION CONCENTRATES ASH2L, SPATS2L, AS3MT PDPK1 4259/4885ROCK1 4435/4885CA1 1784/4885
US-20100048399-A1 HERBICIDAL COMPOSITIONS KCNH1, HRH4, KCNH2 PDPK1 2845/4885ROCK1 4848/4885CA1 3439/4885
US-20070219095-A1 AQUEOUS SUSPENSION CONCENTRATES SLC43A1, AS3MT, SLC7A5 PDPK1 3136/4885ROCK1 4767/4885CA1 2646/4885

“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.