SCHEMBL1777907

SCHEMBL1777907

COc1ccc2c(c1)c(-c1cc3nccnc3[nH]1)cn2CC(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.58
▸ GSK3B P49841 3/20 0.58
▸ LCK P06239 2/20 0.58
▸ IGF1R P08069 2/20 0.58
▸ CDK7 P50613 2/20 0.58
▸ LRRK2 Q5S007 2/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ JAK2 O60674 1/20 0.58
▸ BTK Q06187 1/20 0.58
▸ RAB9A P51151 2/20 0.48
▸ G6PD P11413 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ PTGS2 P35354 1/20 0.44
▸ CDK5 Q00535 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ PAK4 O96013 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ NTRK1 P04629 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
SCHEMBL1777164 0.98 LCK (0.55) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL1778184 0.88 RAB9A (0.49) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL1777457 0.86 G6PD (0.48) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL1779355 0.86 RAB9A (0.45) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL12606300 0.86 RAB9A (0.46) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL14427643 0.84 G6PD (0.47) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL1778941 0.83 DRD2 (0.48) GSK3AGSK3BLCKIGF1RCDK7
SCHEMBL14427676 0.82 RAB9A (0.45) RAB9AG6PDALDH1A1GRIN1GRIN2B
SCHEMBL14427649 0.82 KIT (0.46) RAB9AG6PDALDH1A1GRIN1GRIN2B
SCHEMBL2315003 0.81 GRIN2B (0.45) GSK3AGSK3BLCKIGF1RCDK7

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 23 patents — showing the first 20. 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-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 — — 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
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-7227020-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2007-06-05 — — 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
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-20040053931-A1 Azaindoles CDKN1A, CDK7, CDK2 GSK3A 456/4885GSK3B 409/4885LCK 155/4885
US-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 GSK3A 1039/4885GSK3B 1166/4885LCK 481/4885
US-20050267304-A1 Protein kinase inhibitors; astham; psoriasis; antiinflammatory agents; inflammatory bowel disorders MAP3K20, MAP3K12, MAP3K19 GSK3A 176/4885GSK3B 187/4885LCK 66/4885

“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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