SCHEMBL2769210

SCHEMBL2769210

COc1c(Br)cc2c([nH]c3cnccc32)c1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 17/20 0.61
▸ PRKD3 O94806 1/20 0.50
▸ PRKCG P05129 1/20 0.50
▸ PRKCB P05771 1/20 0.50
▸ PRKCA P17252 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.50
▸ PRKCH P24723 1/20 0.50
▸ PRKCI P41743 1/20 0.50
▸ CSNK2B P67870 1/20 0.50
▸ CSNK2A1 P68400 1/20 0.50
▸ PRKCE Q02156 1/20 0.50
▸ PRKCQ Q04759 1/20 0.50
▸ PRKCZ Q05513 1/20 0.50
▸ PRKCD Q05655 1/20 0.50
▸ PRKD1 Q15139 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ICOSLG O75144 4/20 0.43
▸ ICOS Q9Y6W8 4/20 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
SCHEMBL10486739 0.82 ADORA3 (0.64) CHUKPRKD3PRKCGPRKCBPRKCA
SCHEMBL14253008 0.76 CHUK (1.00) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL14253017 0.74 CHUK (0.61) CHUKADORA3ADORA2AADORA1IKBKB
SCHEMBL14253068 0.74 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1796756 0.74 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL30342051 0.74 CHUK (0.76) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL2768695 0.72 CHUK (0.67) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL20122795 0.72 CHUK (0.72) CHUKICOSLGICOSIKBKBPIM1
SCHEMBL13376951 0.71 CHUK (0.59) CHUKICOSLGICOSIKBKBTYK2
SCHEMBL1799747 0.70 CHUK (0.70) 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 8 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
EP-1209158-A1 Substituted beta-carbolines Aventis Pharma Deutschland GmbH (DE) 2002-05-29 — — EP 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 52/4885PRKD3 162/4885PRKCG 87/4885
US-20020099068-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885PRKD3 162/4885PRKCG 87/4885
US-20060166978-A1 Substituted beta carbolines NFKBIA, RELA, IKBKG CHUK 8/4885PRKD3 215/4885PRKCG 170/4885

“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.

Send feedback