SCHEMBL1778531

SCHEMBL1778531

Cc1cc(-c2cc3nccnc3[nH]2)cn1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 19/20 0.58
▸ CDK1 P06493 19/20 0.58
▸ CCNB1 P14635 19/20 0.58
▸ CCNB3 Q8WWL7 19/20 0.58
▸ GSK3B P49841 18/20 0.58
▸ GSK3A P49840 14/20 0.58
▸ CDK5 Q00535 12/20 0.58
▸ CDK5R1 Q15078 12/20 0.58
▸ JAK2 O60674 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ CDK7 P50613 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45

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
SCHEMBL1778593 0.79 CCNB2 (0.66) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778663 0.75 CCNB2 (0.58) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778217 0.75 CCNB2 (0.54) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL491112 0.73 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780804 0.72 GSK3B (0.50) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1777737 0.71 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1778943 0.70 CCNB2 (0.55) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL1780235 0.69 CCNB2 (0.73) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL29912855 0.69 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B
SCHEMBL490933 0.69 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3B

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 17 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
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN 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
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
CN-100509811-C Azaindoles AVENTIS PHARMA LTD (GB) 2009-07-08 — — CN disclosed
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 — — US disclosed
CN-1665809-A Azaindoles AVENTIS PHARMA LTD (GB) 2005-09-07 — — CN 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 CCNB2 381/4885CDK1 5/4885CCNB1 285/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 CCNB2 1015/4885CDK1 37/4885CCNB1 477/4885

“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.

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