SCHEMBL3053111

SCHEMBL3053111

COc1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.55
▸ CYP1A1 P04798 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2E1 P05181 1/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2A6 P11509 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP4B1 P13584 1/20 0.55
▸ CYP2B6 P20813 1/20 0.55
▸ CYP3A5 P20815 1/20 0.55
▸ CYP2A7 P20853 1/20 0.55
▸ CYP3A7 P24462 1/20 0.55
▸ CYP2F1 P24903 1/20 0.55
▸ CYP2C18 P33260 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CYP2J2 P51589 1/20 0.55
▸ CYP4F2 P78329 1/20 0.55
▸ CYP4F8 P98187 1/20 0.55
▸ CYP4A11 Q02928 1/20 0.55

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
SCHEMBL30839799 0.87 ALDH1A1 (0.50) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL27185954 0.87 ALDH1A1 (0.50) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3788740 0.86 CYP3A4 (0.64) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL3786514 0.86 TDP1 (0.54) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2407878 0.85 CYP1A1 (0.74) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL8987283 0.85 CYP1A1 (0.74) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL26498734 0.81 CYP1A1 (0.83) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL26498789 0.81 CYP1A1 (0.83) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL26498639 0.81 CYP1A1 (0.83) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1689689 0.80 CYP3A4 (0.56) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 — — US disclosed
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-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 — — EP 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-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO., LTD. (JP) 2006-07-13 — — US disclosed
EP-1650208-A1 WHITE-EMITTING COMPOUNDS, PROCESS FOR THE PRODUCTION THEREOF, AND WHITE-EMITTING DEVICES HIROSE ENGINEERING CO., LTD. (JP) 2006-04-26 — — 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 (10 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 1115/4885CYP1A1 1596/4885CYP1A2 1431/4885
US-20080108809-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885CYP1A1 1596/4885CYP1A2 1431/4885
US-20080125419-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1222/4885CYP1A1 1837/4885CYP1A2 1605/4885
US-20030125318-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885CYP1A1 1596/4885CYP1A2 1431/4885
US-20030176695-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885CYP1A1 1596/4885CYP1A2 1431/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885CYP1A1 523/4885CYP1A2 170/4885
US-20050026906-A1 Benzothiazole derivatives with actitvity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1566/4885CYP1A1 1506/4885CYP1A2 1521/4885
US-20100075959-A1 BENZOTHIAZOLE DERIVATIVES WITH ACTIVITY AS ADENOSINE RECEPTOR LIGANDS ADORA2A, ADORA1, ADORA3 CYP3A4 1222/4885CYP1A1 1837/4885CYP1A2 1605/4885
US-20060152143-A1 White-emitting compounds, process for the production thereof, and white-emitting devices IWS1, WNT1, CYP1A1 CYP3A4 42/4885CYP1A1 3/4885CYP1A2 30/4885
US-20020045615-A1 Benzothiazole derivatives with activity as adenosine receptor ligands ADORA2A, ADORA1, ADORA3 CYP3A4 1115/4885CYP1A1 1596/4885CYP1A2 1431/4885

“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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