SCHEMBL1777876

SCHEMBL1777876

Cc1c(-c2ccccc2)[nH]c2ncccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
CNR1 P21554 1/20 0.48
AURKA O14965 1/20 0.46
PARP1 P09874 1/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
CCNB2 O95067 5/20 0.44
CDK1 P06493 5/20 0.44
CCNB1 P14635 5/20 0.44
GSK3B P49841 5/20 0.44
CCNB3 Q8WWL7 5/20 0.44
GSK3A P49840 4/20 0.44
CDK5 Q00535 4/20 0.44
CDK5R1 Q15078 4/20 0.44
F2 P00734 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
SCHEMBL1777550 0.88 MAPK13 (0.48) CYP11B1CYP11B2ADORA2AADORA1CNR1
SCHEMBL1778974 0.85 MAPK13 (0.46) CYP11B1CYP11B2ADORA2AADORA1CNR1
SCHEMBL1777731 0.84 CAMKK2 (0.56) CYP11B1CYP11B2AURKAMAPK13MAPK12
SCHEMBL1778294 0.83 CCNB2 (0.65) AURKAMAPK13MAPK12MAPK11MAPK14
SCHEMBL1780573 0.82 MAPK13 (0.59) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL6246075 0.81 MAPK14 (0.66) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL8321698 0.79 AURKA (0.44) CYP11B1CYP11B2AURKAPARP1MAPK13
SCHEMBL23259087 0.78 CCNB2 (0.47) MAPK13MAPK12MAPK11MAPK14CCNB2
SCHEMBL1779068 0.78 MAP2K1 (0.50) CYP11B1CYP11B2MAPK13MAPK12MAPK11
SCHEMBL1778575 0.77 GSK3A (0.71) AURKAMAPK12MAPK14CCNB2CDK1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP claimed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US claimed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP claimed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US claimed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
EP-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP claimed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO claimed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2008022467-A1 2-SUBSTITUTED AZAIN DOLES AND 2 SUBSTITUTED THIENOPYRROLES, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2008-02-28 WO disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 WO disclosed
EP-0509974-B1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof ASTRA AB (SE) 1999-01-13 EP disclosed
US-5439917-A Phenyl-pyrrolo(2,3-b)pyridine antisecretory agent of gastric acid; adenosine triphosphatase enzyme inhibitor AKTIEBOLAGET ASTRA (SE) 1995-08-08 US disclosed
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
EP-0509974-A1 Pyrrolo[2,3-b]pyridines having therapeutic activity and a process for the preparation thereof Astra Aktiebolag (SE) 1992-10-21 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 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 (4 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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 CYP11B1 1177/4885CYP11B2 1052/4885ADORA2A 1586/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 CYP11B1 315/4885CYP11B2 314/4885ADORA2A 680/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 CYP11B1 1277/4885CYP11B2 1125/4885ADORA2A 1584/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 CYP11B1 1162/4885CYP11B2 1628/4885ADORA2A 940/4885

“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.