SCHEMBL5493038

SCHEMBL5493038

COc1ccc(N2CCCCC2)c2sc(C(N)=O)nc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.57
ADORA1 P30542 10/20 0.57
ALDH1A1 P00352 2/20 0.55
TP53 P04637 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ADORA2B P29275 4/20 0.46
ADORA3 P0DMS8 2/20 0.46

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
SCHEMBL3052494 0.89 ADORA2A (0.48) ADORA2AADORA1ALDH1A1TP53HPGD
SCHEMBL3057679 0.88 ADORA2A (0.48) ADORA2AADORA1TP53ADORA2BADORA3
SCHEMBL2825553 0.88 ADORA2A (0.63) ADORA2AADORA1ADORA2BADORA3
SCHEMBL3052214 0.87 ADORA2A (0.61) ADORA2AADORA1ALDH1A1TP53TSHR
SCHEMBL5943369 0.87 ADORA2A (0.52) ADORA2AADORA1TP53ADORA2BADORA3
SCHEMBL5997854 0.82 ALDH1A1 (0.48) ADORA2AADORA1ALDH1A1HPGDTSHR
SCHEMBL3055076 0.82 ALDH1A1 (0.60) ADORA2AADORA1ALDH1A1TP53HPGD
SCHEMBL3042835 0.81 ADORA2A (0.45) ADORA2AADORA1ALDH1A1TP53TSHR
SCHEMBL3051987 0.80 SMN1; SMN2 (0.53) ALDH1A1TP53HPGDTSHRSMN1; SMN2
SCHEMBL6691863 0.78 ADORA2A (0.52) ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 EP claimed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US claimed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US claimed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP claimed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US claimed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 WO claimed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO claimed
EP-1455792-B1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS HOFFMANN LA ROCHE (CH) 2007-04-18 EP disclosed
US-7019001-B2 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. (US) 2006-03-28 US disclosed
US-20040229893-A1 Substituted benzothiazole amide derivatives FLOHR ALEXANDER (CH) 2004-11-18 US disclosed
EP-1455792-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003049741-A1 UREAS OF 2-AMINOBENZOTHIAZOLES AS ADENOSINE MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-19 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ALDH1A1 512/4885
US-20040229893-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ADORA2A 1/4885ADORA1 2/4885ALDH1A1 512/4885

“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.