SCHEMBL5713461

SCHEMBL5713461

COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccc(CNC(C)(C)C(=O)CN)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.56
ADORA1 P30542 11/20 0.55
ADORA2B P29275 4/20 0.55
ADORA3 P0DMS8 2/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 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
SCHEMBL7240321 0.90 ADORA2A (0.49) ADORA2AADORA1ADORA2BADORA3
SCHEMBL5713516 0.87 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL3049355 0.86 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5713473 0.85 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5713505 0.85 ADORA2A (0.61) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL3056366 0.84 ADORA2A (0.65) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL3053641 0.84 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL3044761 0.84 ADORA2A (0.64) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL5713456 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3MEN1
SCHEMBL3055404 0.83 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3MEN1

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-1450797-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-06-21 EP claimed
US-6624163-B2 P-acylaminomethyl-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2 -yl)-benzamides; treatment of diseases related to the adenosine receptor, such as Alzheimer's disease, depression, drug addiction, Parkinson's and Attention Deficit Hyperactivity Disorder HOFFMAN-LA ROCHE INC. 2003-09-23 US claimed
US-20030134855-A1 BENZOTHIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-07-17 US claimed
EP-1450797-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-06-21 EP disclosed
EP-1450797-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-01 EP disclosed
US-6624163-B2 P-acylaminomethyl-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2 -yl)-benzamides; treatment of diseases related to the adenosine receptor, such as Alzheimer's disease, depression, drug addiction, Parkinson's and Attention Deficit Hyperactivity Disorder HOFFMAN-LA ROCHE INC. 2003-09-23 US disclosed
US-20030134855-A1 BENZOTHIAZOLE DERIVATIVES HOFFMANN-LA ROCHE INC. 2003-07-17 US disclosed
WO-2003045386-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-06-05 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 (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-20030134855-A1 BENZOTHIAZOLE DERIVATIVES ADORA1, ADORA2A, ADORA2B ADORA2A 2/4885ADORA1 1/4885ADORA2B 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.