SCHEMBL3049553

SCHEMBL3049553

COc1ccc(-c2ccccn2)c2sc(N)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ TP53 P04637 4/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CBFB Q13951 1/20 0.43
▸ USP2 O75604 1/20 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
SCHEMBL3053017 0.90 CYP19A1 (0.49) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL3049550 0.83 SMN1; SMN2 (0.43) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL3046554 0.82 ALDH1A1 (0.55) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL3047058 0.81 CYP3A4 (0.51) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL20702383 0.81 TDO2 (0.40) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL4128905 0.78 ALDH1A1 (0.61) CYP3A4TDP1SMN1; SMN2TP53HSD17B10
SCHEMBL3052909 0.77 TDP1 (0.48) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL3043325 0.77 SMN1; SMN2 (0.49) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL1040556 0.77 CYP3A4 (0.47) CYP3A4TDP1SMN1; SMN2TP53RAB9A
SCHEMBL3057647 0.76 CYP19A1 (0.45) TDP1SMN1; SMN2TP53RAB9AHSD17B10

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
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
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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ALANINE ALEXANDER 2006-01-05 — — US disclosed
US-6963000-B2 Benzothiazole derivatives with activity as adenosine receptor ligands HOFFMAN-LA ROCHE INC. (US) 2005-11-08 — — US disclosed
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ALANINE ALEXANDER (FR) 2005-02-03 — — US 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 (8 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-20060003986-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885TDP1 1246/4885SMN1; SMN2 3173/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885TDP1 1246/4885SMN1; SMN2 3173/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1222/4885TDP1 1253/4885SMN1; SMN2 3476/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885TDP1 1246/4885SMN1; SMN2 3173/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885TDP1 1246/4885SMN1; SMN2 3173/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1566/4885TDP1 1478/4885SMN1; SMN2 3317/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1222/4885TDP1 1253/4885SMN1; SMN2 3476/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885TDP1 1246/4885SMN1; SMN2 3173/4885

“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.

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