SCHEMBL3049305

SCHEMBL3049305

COC(=O)Nc1nc2c(OC)ccc(-c3nc(C)sc3C)c2s1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
HPGD P15428 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX5 P09917 1/20 0.48
CHRM4 P08173 6/20 0.47
DUSP3 P51452 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 2/20 0.46
ATM Q13315 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL3052323 0.84 ADORA2B (0.64) LMNACHRM4DUSP3
SCHEMBL3053134 0.81 ALDH1A1 (0.53) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3046275 0.81 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3056304 0.78 CYP3A4 (0.44) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3053477 0.77 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3057214 0.76 CHRM4 (0.49) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL6868209 0.76 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3053652 0.76 ALDH1A1 (0.59) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3038896 0.76 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL3050636 0.75 ALDH1A1 (0.58) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2

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 12 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
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US 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 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HPGD 2488/4885KDM4E 3863/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 452/4885HPGD 2538/4885KDM4E 4127/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 ALDH1A1 473/4885HPGD 2488/4885KDM4E 3863/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 ALDH1A1 383/4885HPGD 2398/4885KDM4E 3849/4885

“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.