SCHEMBL3053017

SCHEMBL3053017

COc1ccc(-c2csc(-c3ccccn3)n2)c2sc(N)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
PDE10A Q9Y233 1/20 0.44
RAB9A P51151 7/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
TP53 P04637 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.43
CASP3 P42574 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43

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
SCHEMBL3049553 0.90 CYP3A4 (0.47) CYP19A1RAB9AMEN1KMT2ATP53
SCHEMBL3057647 0.86 CYP19A1 (0.45) CYP19A1PDE10ARAB9AMEN1KMT2A
SCHEMBL3037936 0.83 KMT2A (0.45) CYP19A1RAB9AMEN1KMT2ATP53
SCHEMBL3046554 0.81 ALDH1A1 (0.55) RAB9AMEN1KMT2ATP53TDP1
SCHEMBL3043325 0.78 SMN1; SMN2 (0.49) RAB9AMEN1KMT2ATP53TDP1
SCHEMBL3047065 0.78 MAPT (0.47) CYP19A1RAB9AMEN1KMT2ATDP1
SCHEMBL3059808 0.78 ADORA2B (0.55) MEN1KMT2ANPC1
SCHEMBL3047796 0.76 CHRM4 (0.48) MEN1KMT2ATDP1L3MBTL1KDM4E
SCHEMBL7168546 0.76 ADORA2A (0.53) RAB9AMEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL3045403 0.76 ADORA3 (0.48) MEN1KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797878-A2 Benzothiazole derivatives F. Hoffmann-La Roche AG (CH) 2007-06-20 EP claimed
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2005-02-03 US claimed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US claimed
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-07-03 US claimed
EP-1303272-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP claimed
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US claimed
WO-2001097786-A2 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-12-27 WO claimed
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-6835732-B2 Modulation of the adenosine A2A receptor; cardioprotective agents; antiischemic agents; antihypoxia agents; central nervous system disorders, Alzheimer's disease, Parkinson's disease, anxiolytic agents; antidepressants; analgesics HOFFMAN-LA ROCHE INC. 2004-12-28 US disclosed
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2003-09-18 US 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-6521754-B2 Such as N-4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-2-methyl-isoni cotinamide HOFFMAN-LA ROCHE INC. 2003-02-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP19A1 2955/4885PDE10A 699/4885RAB9A 3119/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP19A1 3173/4885PDE10A 827/4885RAB9A 3104/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP19A1 2955/4885PDE10A 699/4885RAB9A 3119/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP19A1 2955/4885PDE10A 699/4885RAB9A 3119/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP19A1 3148/4885PDE10A 934/4885RAB9A 3351/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP19A1 3173/4885PDE10A 827/4885RAB9A 3104/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP19A1 2955/4885PDE10A 699/4885RAB9A 3119/4885

“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.