SCHEMBL1780573

SCHEMBL1780573

c1ccc(-c2[nH]c3ncccc3c2-c2c(-c3ccccc3)[nH]c3ncccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59
MAPK14 Q16539 1/20 0.59
ADORA2A P29274 1/20 0.53
ADORA1 P30542 1/20 0.53
CNR1 P21554 1/20 0.50
AURKA O14965 1/20 0.49
PARP1 P09874 1/20 0.49
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CCNB2 O95067 3/20 0.44
CDK1 P06493 3/20 0.44
CCNB1 P14635 3/20 0.44
GSK3B P49841 3/20 0.44
CCNB3 Q8WWL7 3/20 0.44
GSK3A P49840 2/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43

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
SCHEMBL6246075 0.95 MAPK14 (0.66) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL2292081 0.83 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL1777876 0.82 CYP11B1 (0.55) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL2284222 0.80 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL28322523 0.79 ADORA2A (0.50) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL858414 0.79 IMPDH2 (0.50) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL4411780 0.79 ADORA2A (0.50) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL857278 0.78 CCNB2 (0.68) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL1777845 0.78 ADORA2A (0.50) MAPK13MAPK12MAPK11MAPK14ADORA2A
SCHEMBL29952302 0.78 ADORA2A (0.47) MAPK13MAPK12MAPK11MAPK14ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US 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
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US disclosed
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 MAPK13 111/4885MAPK12 176/4885MAPK11 133/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 MAPK13 484/4885MAPK12 1099/4885MAPK11 698/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 MAPK13 31/4885MAPK12 19/4885MAPK11 165/4885

“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.