SCHEMBL3044550

SCHEMBL3044550

COc1ccc(-c2nnn[nH]2)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL187940 0.85 ALDH1A1 (0.54) HSD17B10KDM4EALDH1A1MEN1MAPT
SCHEMBL6608296 0.83 GRK6 (0.45) HSD17B10KDM4EALDH1A1MAPTGAA
SCHEMBL705661 0.81 MAPT (0.49) HSD17B10KDM4EALDH1A1MEN1MAPT
SCHEMBL10765716 0.81 KDM4E (0.40) HSD17B10KDM4EALDH1A1MEN1MAPT
SCHEMBL26230909 0.80 KDM4E (0.35) HSD17B10KDM4E
SCHEMBL6789801 0.79 DHFR (0.44) HSD17B10KDM4EALDH1A1GAATDP1
SCHEMBL10321032 0.79 ALDH1A1 (0.48) HSD17B10KDM4EALDH1A1CYP3A4MEN1
Hydrochloric Acid SCHEMBL16176998 0.78 TDP1 (0.46) HSD17B10KDM4EALDH1A1CYP3A4MEN1
SCHEMBL1250505 0.78 NOX1 (0.49) MAPTGAA
SCHEMBL9023892 0.78 PIK3CA (0.39) HSD17B10KDM4EALDH1A1GAATDP1

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 16 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
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-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 HSD17B10 3427/4885KDM4E 3849/4885ALDH1A1 383/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 HSD17B10 3427/4885KDM4E 3849/4885ALDH1A1 383/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 HSD17B10 3505/4885KDM4E 3863/4885ALDH1A1 473/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HSD17B10 3427/4885KDM4E 3849/4885ALDH1A1 383/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HSD17B10 3427/4885KDM4E 3849/4885ALDH1A1 383/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HSD17B10 3849/4885KDM4E 4127/4885ALDH1A1 452/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 HSD17B10 3505/4885KDM4E 3863/4885ALDH1A1 473/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 HSD17B10 3427/4885KDM4E 3849/4885ALDH1A1 383/4885

“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.