SCHEMBL1777680

SCHEMBL1777680

COc1ccc2c(c1)cc(-c1cc3cccnc3[nH]1)n2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 9/20 0.60
CCNB2 O95067 1/20 0.60
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60
IGF1R P08069 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.42
LCK P06239 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42
BTK Q06187 1/20 0.42
LRRK2 Q5S007 1/20 0.42
AURKB Q96GD4 1/20 0.42
ITK Q08881 1/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL1777195 0.85 L3MBTL1 (0.45) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778695 0.85 RIPK1 (0.46) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1776800 0.84 KDM4E (0.54) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1779923 0.82 L3MBTL1 (0.42) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1780506 0.81 L3MBTL1 (0.41) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1777852 0.81 RIPK1 (0.49) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778606 0.81 RIPK1 (0.51) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1781850 0.81 RIPK1 (0.51) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1779704 0.81 GSK3A (0.43) RIPK1CCNB2CDK1CCNB1CCNB3
SCHEMBL1778908 0.80 RIPK1 (0.50) RIPK1CCNB2CDK1CCNB1CCNB3

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 15 patents. 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
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 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
WO-2003000688-A1 AZAINDOLES AVENTIS PHARMA LIMITED (GB) 2003-01-03 WO claimed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 US disclosed
US-7943616-B2 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2011-05-17 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
EP-2233486-A1 Azaindoles Aventis Pharma Limited (GB) 2010-09-29 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-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US disclosed
EP-1397360-A1 AZAINDOLES Aventis Pharma Limited (GB) 2004-03-17 EP 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 (2 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 RIPK1 1614/4885CCNB2 381/4885CDK1 5/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 RIPK1 278/4885CCNB2 1015/4885CDK1 37/4885

“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.