SCHEMBL6178167

SCHEMBL6178167

COc1ccc(C2CCOCC2)c2sc(NC(=O)c3ccc(F)cc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.62
ADORA1 P30542 15/20 0.62
ADORA2B P29275 15/20 0.62
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPT P10636 2/20 0.53
DUSP3 P51452 1/20 0.53

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
SCHEMBL5035978 0.90 ADORA2A (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6180606 0.90 KMT2A (0.55) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6179412 0.90 ADORA2B (0.64) ADORA2AADORA1ADORA2BMAPTDUSP3
SCHEMBL6181461 0.89 CHRM4 (0.64) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6177019 0.88 MEN1 (0.54) ADORA2AADORA1ADORA2BMEN1KMT2A
Hydrochloric Acid SCHEMBL6180943 0.88 ADORA2B (0.61) ADORA2AADORA1ADORA2BDUSP3
SCHEMBL6178603 0.86 ADORA2B (0.61) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6179726 0.86 CHRM4 (0.52) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL6178419 0.86 ADORA2B (0.61) ADORA2AADORA1ADORA2BDUSP3
SCHEMBL5564254 0.85 ADORA2A (0.69) ADORA2AADORA1ADORA2BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP claimed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP claimed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US claimed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US claimed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO claimed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 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 (1 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-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ADORA2B 3/4885

“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.