SCHEMBL3050885

SCHEMBL3050885

COc1ccc(-c2cccnc2)c2sc(C(N)=O)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 2/20 0.56
▸ MKNK2 Q9HBH9 2/20 0.56
▸ NPC1 O15118 3/20 0.50
▸ CHRM4 P08173 2/20 0.47
▸ TP53 P04637 3/20 0.47
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ CYP17A1 P05093 2/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ CYP3A4 P08684 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KLK3 P07288 3/20 0.44
▸ F12 P00748 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP1A1 P04798 1/20 0.43
▸ CYP1B1 Q16678 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
SCHEMBL3052027 0.88 ACACA (0.47) MKNK1MKNK2NPC1CHRM4LMNA
SCHEMBL3057520 0.86 CDC7 (0.47) MKNK1MKNK2NPC1CHRM4MAPT
SCHEMBL3050886 0.84 NPC1 (0.50) MKNK1MKNK2NPC1CHRM4TP53
SCHEMBL20702379 0.83 CYP3A4 (0.48) MKNK1MKNK2NPC1CYP11B1CYP11B2
SCHEMBL3053212 0.82 DYRK1A (0.41) MKNK1MKNK2CHRM4MAPT
SCHEMBL3051200 0.82 CHRM4 (0.42) CHRM4LMNAMAPTSMN1; SMN2
SCHEMBL3046561 0.80 FYN (0.47) NPC1CHRM4TP53RAB9ASMN1; SMN2
SCHEMBL3058907 0.79 CCNC (0.44) CHRM4LMNAMAPTSMN1; SMN2
SCHEMBL3049550 0.79 SMN1; SMN2 (0.43) NPC1CHRM4TP53CYP3A4LMNA
SCHEMBL3037890 0.78 AKR1C3 (0.49) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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 MKNK1 2869/4885MKNK2 3034/4885NPC1 1587/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MKNK1 2680/4885MKNK2 2821/4885NPC1 1559/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MKNK1 2869/4885MKNK2 3034/4885NPC1 1587/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MKNK1 2869/4885MKNK2 3034/4885NPC1 1587/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MKNK1 2854/4885MKNK2 2634/4885NPC1 2029/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 MKNK1 2680/4885MKNK2 2821/4885NPC1 1559/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 MKNK1 2869/4885MKNK2 3034/4885NPC1 1587/4885

“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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