SCHEMBL599753

SCHEMBL599753

c1ccc2c(c1)OCCC2Nc1ncncn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.46
TRPV1 Q8NER1 4/20 0.37
MAPK1 P28482 5/20 0.37
HTR2A P28223 1/20 0.36
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
ADRA1A P35348 2/20 0.35
CCR6 P51684 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL28738802 0.78 TRPV1 (0.43) LRRK2TRPV1MAPK1
SCHEMBL28731695 0.76 HDAC6 (0.56)
SCHEMBL599373 0.75 PDPK1 (0.53) MAPK1ADRA2BADRA2CADRA1A
SCHEMBL5017486 0.75 ITGB2 (0.46) LRRK2TRPV1MAPK1HTR2AITGB2
SCHEMBL6431777 0.75 ITGB2 (0.46) LRRK2TRPV1MAPK1HTR2AITGB2
SCHEMBL15452391 0.73 EGFR (0.44) LRRK2MAPK1
SCHEMBL22997177 0.72 PDPK1 (0.52) HTR2AITGB2ICAM1ITGAL
SCHEMBL18215053 0.72 ITGB2 (0.43) LRRK2TRPV1MAPK1HTR2AITGB2
SCHEMBL130896 0.72 PDPK1 (0.52) HTR2AITGB2ICAM1ITGAL
SCHEMBL12162969 0.72 ITGB2 (0.43) LRRK2TRPV1MAPK1HTR2ACCR6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592674-B1 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) 2014-03-05 EP 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
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 (2 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 LRRK2 2918/4885TRPV1 4557/4885MAPK1 190/4885
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 LRRK2 3045/4885TRPV1 4298/4885MAPK1 198/4885

“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.