SCHEMBL491031

SCHEMBL491031

COc1cccc(-c2cc3nccnc3[nH]2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 10/20 1.00
CDK1 P06493 10/20 1.00
CCNB1 P14635 10/20 1.00
CCNB3 Q8WWL7 10/20 1.00
GSK3A P49840 9/20 1.00
GSK3B P49841 9/20 1.00
CDK5 Q00535 6/20 1.00
CDK5R1 Q15078 6/20 1.00
NPY5R Q15761 1/20 0.54
JAK2 O60674 1/20 0.52
LCK P06239 1/20 0.52
IGF1R P08069 1/20 0.52
CDK7 P50613 1/20 0.52
BTK Q06187 1/20 0.52
LRRK2 Q5S007 1/20 0.52
AURKB Q96GD4 1/20 0.52
DYRK1A Q13627 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL490489 0.84 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490667 0.83 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL28043442 0.81 RIPK1 (0.74) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL2444894 0.78 CCNB2 (0.64) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1780850 0.78 CCNB2 (0.71) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL490933 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL29912855 0.77 CCNB2 (1.00) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL1779556 0.77 CCNB2 (0.69) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL7925181 0.77 ADORA2A (0.67) CCNB2CDK1CCNB1CCNB3GSK3A
Bromide SCHEMBL490969 0.76 CCNB2 (0.97) CCNB2CDK1CCNB1CCNB3GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897207-B2 Azaindoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US claimed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US claimed
US-20040053931-A1 Azaindoles AVENTIS PHARMACEUTICALS INC. 2004-03-18 US claimed
US-8106050-B2 6-[1-(4-Chlorophenyl)-1-cyclopropyl][5H]pyrrolo[2,3-b]pyrazine; cyclin-dependent kinases and glycogen synthase kinase-3 inhibitor; antiproliferative, anticarcinogenic agent; neurodegenerative disorders; controlling the cell cycle apoptosis, neuronal functions, transcription and exocytosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2012-01-31 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
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
EP-1263759-B1 AZAINDOLES AVENTIS PHARMA LTD (GB) 2010-09-08 EP disclosed
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP 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
EP-1388541-A1 Pyrrolopyrazines as kinase inhibitors CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-02-11 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 (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-20040198737-A1 Azaindoles CCNY, CCNO, CNKSR1 CCNB2 194/4885CDK1 8/4885CCNB1 218/4885
US-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 CCNB2 381/4885CDK1 5/4885CCNB1 285/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 CCNB2 244/4885CDK1 13/4885CCNB1 275/4885

“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.