SCHEMBL2569855

SCHEMBL2569855

N#Cc1c(Cl)nc(N)nc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.77
ADORA2A P29274 18/20 0.77
ADORA2B P29275 4/20 0.68
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL6440910 0.88 ADORA1 (1.00) ADORA1ADORA2AADORA2B
SCHEMBL14413001 0.87 ADORA1 (0.58) ADORA1ADORA2AADORA2BKMT2A
SCHEMBL14413783 0.85 ADORA1 (0.65) ADORA1ADORA2AADORA2B
SCHEMBL5321086 0.84 ADORA1 (0.70) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL32688195 0.83 KMT2A (0.63) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL19305511 0.81 KMT2A (0.85) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL6445072 0.81 ADORA1 (0.80) ADORA1ADORA2AADORA2B
SCHEMBL5321147 0.80 ADORA1 (0.77) ADORA1ADORA2AADORA2B
SCHEMBL4905916 0.79 ADORA1 (0.77) ADORA1ADORA2AADORA2BMEN1KMT2A
SCHEMBL4907138 0.79 ADORA1 (0.58) ADORA1ADORA2AADORA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272107-B Pyrimidine derivatives and their use for combating undesired vegetation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-14 CN disclosed
EP-2384322-B1 PYRIMIDINE DERIVATIVES AND USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2014-08-27 EP disclosed
US-8445408-B2 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2013-05-21 US disclosed
CN-102272107-A Pyrimidine derivatives and their use for combating undesired vegetation 2011-12-07 CN disclosed
EP-2384322-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH Bayer CropScience AG (DE) 2011-11-09 EP disclosed
EP-2206703-A1 Pyrimidine derivatives and use thereof for combating undesired plant growth Bayer CropScience AG (DE) 2010-07-14 EP disclosed
WO-2010076009-A1 PYRIMIDINE DERIVATIVES AND THE USE THEREOF FOR COMBATING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AG (DE) 2010-07-08 WO disclosed
US-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
EP-1261327-B1 ADENOSINE RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2005-04-27 EP disclosed
CN-1438890-A Adenosine receptor modulators HOFFMANNLA ROCHE AG F (CH) 2003-08-27 CN disclosed
US-6586441-B2 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders HOFFMAN-LA ROCHE INC. 2003-07-01 US disclosed
EP-1261327-A2 ADENOSINE RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2002-12-04 EP disclosed
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 US disclosed
WO-2001062233-A2 ADENOSINE RECEPTOR MODULATORS F. HOFFMANN LA ROCHE AG (CH) 2001-08-30 WO 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-20100167935-A1 Pyrimidine derivatives and their use for controlling undesired plant growth TYMS, TYMP, UMPS ADORA1 499/4885ADORA2A 435/4885ADORA2B 594/4885
US-20010027196-A1 Adenosine receptor ligands and their use in the treatment of disease ADORA2A, ADORA2B, ADORA1 ADORA1 3/4885ADORA2A 1/4885ADORA2B 2/4885

“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.