SCHEMBL1777845

SCHEMBL1777845

O=Cc1c(-c2ccccc2)[nH]c2ncccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
KMT2A Q03164 2/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
GSK3A P49840 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 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
SCHEMBL1779138 0.82 ADORA2A (0.44) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL1779139 0.82 ADORA2A (0.44) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL31160505 0.81 COPS5 (0.43) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL8687739 0.79 CNR1 (0.53) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL1780573 0.78 MAPK13 (0.59) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL6488869 0.77 SMN1; SMN2 (0.51) CNR1AURKAPARP1KMT2AGSK3B
SCHEMBL6246075 0.77 MAPK14 (0.66) ADORA2AADORA1CNR1AURKAPARP1
2-Phenyl-1H-Indole-3-Carbaldehyde SCHEMBL1429713 0.76 ESR1 (0.55) KMT2AGSK3BMEN1MAPTSMN1; SMN2
Benzene SCHEMBL28175507 0.76 ALDH1A1 (0.51) ADORA2AADORA1CNR1AURKAPARP1
SCHEMBL28143990 0.76 ALDH1A1 (0.51) ADORA2AADORA1CNR1AURKAPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN 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
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 CN disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
CN-100379734-C Azaindoles AVENTIS PHARMA LTD (GB) 2008-04-09 CN disclosed
US-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 US disclosed
US-20040198737-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-10-07 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 US disclosed
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO disclosed
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP 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 ADORA2A 1586/4885ADORA1 2801/4885CNR1 37/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 ADORA2A 680/4885ADORA1 773/4885CNR1 1386/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 ADORA2A 1584/4885ADORA1 3024/4885CNR1 28/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 ADORA2A 940/4885ADORA1 1034/4885CNR1 2057/4885

“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.