SCHEMBL1778024

SCHEMBL1778024

Cc1ccnc2[nH]c(-c3ccccc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.56
ADORA1 P30542 3/20 0.56
CCNB2 O95067 3/20 0.56
CDK1 P06493 3/20 0.56
CCNB1 P14635 3/20 0.56
CDK5 Q00535 3/20 0.56
CDK5R1 Q15078 3/20 0.56
CCNB3 Q8WWL7 3/20 0.56
GSK3A P49840 2/20 0.56
GSK3B P49841 2/20 0.56
CSF1R P07333 2/20 0.50
EGFR P00533 4/20 0.48
MAPK14 Q16539 2/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL6642440 0.87 KIT (0.50) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL25145758 0.81 ADORA2A (0.54) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL20928367 0.80 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL3604759 0.80 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL16041244 0.80 CDC7 (0.59) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL31240593 0.80 CDC7 (0.59) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL29955037 0.80 ADORA2A (0.52) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL31238245 0.78 ADORA2A (0.58) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL29957029 0.76 ADORA2A (0.56) ADORA2AADORA1CCNB2CDK1CCNB1
SCHEMBL26102930 0.76 CDC7 (0.62) ADORA2AADORA1CCNB2CDK1CCNB1

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 29 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
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 CN claimed
CN-1615873-A Azaindoles compound AVENTIS PHARMA LTD (GB) 2005-05-18 CN 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
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
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-1263759-A2 AZAINDOLES Aventis Pharma Limited (GB) 2002-12-11 EP disclosed
WO-2001047922-A2 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2001-07-05 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 ADORA2A 1586/4885ADORA1 2801/4885CCNB2 194/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 ADORA2A 680/4885ADORA1 773/4885CCNB2 381/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 ADORA2A 1584/4885ADORA1 3024/4885CCNB2 244/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 ADORA2A 940/4885ADORA1 1034/4885CCNB2 1015/4885

“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.