SCHEMBL5713434

SCHEMBL5713434

COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccc(CN(C)C(=O)C4CCC4)cc3)nc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.57
ADORA1 P30542 15/20 0.57
ADORA2B P29275 4/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ADORA3 P0DMS8 1/20 0.52

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
SCHEMBL5713437 0.97 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL3052913 0.89 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713442 0.89 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713445 0.88 ADORA2A (0.58) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713486 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713452 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713463 0.87 ADORA2A (0.57) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713458 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713451 0.86 ADORA2A (0.59) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL5713435 0.86 ADORA2A (0.56) 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-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.