SCHEMBL2767580

SCHEMBL2767580

COc1c(Cl)cc2c([nH]c3cnccc32)c1NC(=O)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 12/20 0.74
▸ ICOSLG O75144 8/20 0.74
▸ ICOS Q9Y6W8 8/20 0.74
▸ IKBKB O14920 3/20 0.74
▸ TYK2 P29597 1/20 0.74
▸ CLK1 P49759 1/20 0.74
▸ CLK2 P49760 1/20 0.74
▸ DYRK1A Q13627 1/20 0.74
▸ CLK4 Q9HAZ1 1/20 0.74
▸ PI4KB Q9UBF8 1/20 0.74
▸ MEN1 O00255 1/20 0.63
▸ PIM1 P11309 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ PIM3 Q86V86 1/20 0.63
▸ IKBKG Q9Y6K9 1/20 0.63
▸ MAPK1 P28482 1/20 0.47
▸ TSHR P16473 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL12619360 0.90 CHUK (0.68) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253080 0.89 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13442718 0.88 CHUK (0.65) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253077 0.87 CHUK (0.67) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253079 0.86 CHUK (0.67) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13377072 0.86 CHUK (0.65) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL13315615 0.86 CHUK (0.69) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342072 0.85 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30039188 0.85 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1420073 0.85 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2

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
EP-1268477-B1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY SANOFI AVENTIS DEUTSCHLAND (DE) 2010-04-21 — — EP disclosed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 — — WO disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-7348336-B2 Substituted β-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-25 — — US disclosed
US-20060166978-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH 2006-07-27 — — US disclosed
US-7026331-B2 Substituted beta-carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-04-11 — — US disclosed
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury PHARMACIA CORPORATION (US) 2005-04-07 — — US disclosed
WO-2005009354-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY PHARMACIA CORPORATION (US) 2005-02-03 — — WO disclosed
US-20040110759-A1 Substituted beta carbolines AVENTIS PHARMA DEUTSCHLAND GMBH 2004-06-10 — — US disclosed
US-6627637-B2 I kappa B kinase inhibitors for treating various disorders including arthritis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-30 — — US disclosed
EP-1268477-A1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY Aventis Pharma Deutschland GmbH (DE) 2003-01-02 — — EP disclosed
US-20020099068-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-07-25 — — US disclosed
EP-1209158-A1 Substituted beta-carbolines Aventis Pharma Deutschland GmbH (DE) 2002-05-29 — — EP disclosed
WO-2001068648-A1 SUBSTITUTED BETA-CARBOLINES WITH IKB-KINASE INHIBITING ACTIVITY AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-20 — — 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 (4 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-20040110759-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885ICOSLG 4842/4885ICOS 4455/4885
US-20020099068-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885ICOSLG 4842/4885ICOS 4455/4885
US-20060166978-A1 Substituted beta carbolines NFKBIA, RELA, IKBKG CHUK 8/4885ICOSLG 4589/4885ICOS 2392/4885
US-20050075341-A1 Compositions of a cyclooxygenase-2 selective inhibitor and an IKK inhibitor for the treatment of ischemic mediated central nervous system disorders or injury IKBKE, IKBKG, IKBKB CHUK 4/4885ICOSLG 3193/4885ICOS 2287/4885

“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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