SCHEMBL2768695

SCHEMBL2768695

COc1c(Cl)ccc2c1[nH]c1cnccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 17/20 0.67
▸ ICOSLG O75144 5/20 0.46
▸ ICOS Q9Y6W8 5/20 0.46
▸ DYRK1A Q13627 2/20 0.46
▸ IKBKB O14920 2/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ CLK2 P49760 1/20 0.46
▸ CLK4 Q9HAZ1 1/20 0.46
▸ PI4KB Q9UBF8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ TOP1 P11387 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL14253008 0.80 CHUK (1.00) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL14253030 0.79 CHUK (0.63) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL1796756 0.78 CHUK (0.76) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL30342051 0.78 CHUK (0.76) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL4823698 0.77 CHUK (0.56) CHUKICOSLGICOSIKBKBKDM4E
SCHEMBL14253068 0.75 CHUK (0.76) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL1799747 0.74 CHUK (0.70) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL4818361 0.73 CHUK (0.53) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL2769210 0.72 CHUK (0.61) CHUKICOSLGICOSDYRK1AIKBKB
SCHEMBL13315615 0.72 CHUK (0.69) CHUKICOSLGICOSDYRK1AIKBKB

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 7 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
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-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
US-20020099068-A1 Substituted beta carbolines SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-07-25 — — US 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-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

“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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