SCHEMBL1778743

SCHEMBL1778743

c1ccc2c(-c3cc4nccnc4[nH]3)c[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.61
CDK5 Q00535 10/20 0.61
CDK5R1 Q15078 10/20 0.61
CCNB2 O95067 12/20 0.56
CDK1 P06493 12/20 0.56
CCNB1 P14635 12/20 0.56
CCNB3 Q8WWL7 12/20 0.56
GSK3A P49840 7/20 0.56
NFATC1 O95644 1/20 0.48
DYRK1A Q13627 1/20 0.48
IMPDH2 P12268 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
HTR5A P47898 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 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
SCHEMBL1748617 0.81 RIPK1 (0.57) GSK3BCDK5CDK5R1DYRK1AIMPDH2
SCHEMBL4776382 0.79 SMN1; SMN2 (0.56) IMPDH2MAPK1HSD17B10ADRA1AADRA1B
SCHEMBL1777707 0.79 GSK3B (0.61) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL4781130 0.77 GSK3B (0.47) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1748962 0.76 IMPDH2 (0.47) GSK3BCDK5CDK5R1DYRK1AIMPDH2
SCHEMBL10014918 0.76 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL4725465 0.75 PDGFRB (0.55) IMPDH2MAPK1HSD17B10ADRA1AADRA1B
SCHEMBL4794773 0.72 GSK3B (0.60) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL27158570 0.72 CCNB2 (0.67) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL1780075 0.72 CCNB2 (0.67) GSK3BCDK5CDK5R1CCNB2CDK1

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 18 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
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 GSK3B 409/4885CDK5 30/4885CDK5R1 91/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3B 187/4885CDK5 200/4885CDK5R1 314/4885

“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.