SCHEMBL2768947

SCHEMBL2768947

O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)c1ccc(Cl)nc1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.78
▸ ICOSLG O75144 11/20 0.78
▸ ICOS Q9Y6W8 11/20 0.78
▸ MEN1 O00255 1/20 0.77
▸ IKBKB O14920 1/20 0.77
▸ PIM1 P11309 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ PIM3 Q86V86 1/20 0.77
▸ IKBKG Q9Y6K9 1/20 0.77

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
SCHEMBL14253081 0.90 CHUK (0.75) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13376959 0.89 CHUK (0.89) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL13377038 0.88 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL29359984 0.87 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL1420453 0.87 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253078 0.86 CHUK (0.83) CHUKICOSLGICOSMEN1IKBKB
Hydrochloric Acid SCHEMBL12471533 0.86 CHUK (0.98) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253005 0.86 CHUK (0.83) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL14253037 0.86 CHUK (1.00) CHUKICOSLGICOSMEN1IKBKB
SCHEMBL2768231 0.85 CHUK (0.78) CHUKICOSLGICOSMEN1IKBKB

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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