SCHEMBL3044731

SCHEMBL3044731

Cc1cc([Sn](C)(C)C)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.52
DYRK1A Q13627 3/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAP4K4 O95819 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PIK3CB P42338 1/20 0.31
KCNQ2 O43526 1/20 0.31

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
SCHEMBL1766247 0.74 LOXL2 (0.42) UHRF1DYRK1ACCR1CCR5CCR8
SCHEMBL2391922 0.74 RECQL (0.42) SMARCA2SMARCA4CCNCCDK8
SCHEMBL3106680 0.73 RAB9A (0.42) MEN1KMT2ACYP1A2
SCHEMBL29851259 0.70 UHRF1 (0.41) UHRF1DYRK1ANOS3NOS1NOS2
SCHEMBL1722328 0.70 UHRF1 (0.41) UHRF1DYRK1ANOS3NOS1NOS2
SCHEMBL5200602 0.70
SCHEMBL31401539 0.70 LOXL2 (0.47) NOS3NOS2SMARCA2SMARCA4MAP4K4
SCHEMBL44068 0.69
SCHEMBL1896511 0.69 DYRK1A (0.65) UHRF1DYRK1AMAP4K4CCNCCDK8
SCHEMBL28381757 0.69 UHRF1 (1.00) UHRF1DYRK1ACCR1CCR5CCR8

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2010-03-25 US disclosed
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-29 US disclosed
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ALANINE ALEXANDER 2008-05-08 US disclosed
EP-1303272-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND PARKINSON'S DISEASE HOFFMANN LA ROCHE (CH) 2008-02-13 EP disclosed
US-7317007-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2008-01-08 US disclosed
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP disclosed
US-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 US disclosed
CN-1234358-C Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-01-04 CN disclosed
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 US disclosed
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2005-02-03 US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US disclosed
CN-1437471-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US disclosed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO disclosed
US-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed
EP-0306860-A2 4-Oxo-3-Quinolinecarboxylic acids useful as antibacterial agents and preparation thereof STERLING WINTHROP INC. (US) 1989-03-15 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 (8 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 UHRF1 4110/4885DYRK1A 1066/4885CCR1 4040/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 UHRF1 4110/4885DYRK1A 1066/4885CCR1 4040/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 UHRF1 3974/4885DYRK1A 1115/4885CCR1 4090/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 UHRF1 4110/4885DYRK1A 1066/4885CCR1 4040/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 UHRF1 4110/4885DYRK1A 1066/4885CCR1 4040/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 UHRF1 3886/4885DYRK1A 1051/4885CCR1 3524/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 UHRF1 3974/4885DYRK1A 1115/4885CCR1 4090/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 UHRF1 4110/4885DYRK1A 1066/4885CCR1 4040/4885

“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.