SCHEMBL4826488

SCHEMBL4826488

N#Cc1ccc2c(c1)[nH]c1cnccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 7/20 0.79
KIF11 P52732 1/20 0.54
ROCK2 O75116 1/20 0.54
KDM4E B2RXH2 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
IKBKB O14920 1/20 0.51
AURKA O14965 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PIM1 P11309 1/20 0.51
TOP1 P11387 1/20 0.51
GABRA1 P14867 1/20 0.51
IDO1 P14902 1/20 0.51
HPGD P15428 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51

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
SCHEMBL14253016 0.89 CHUK (1.00) CHUKKIF11ROCK2KDM4EGABRP
SCHEMBL6007662 0.84 CHUK (0.53) CHUKKIF11ALDH1A1PKN1PKN2
SCHEMBL1928017 0.83 PARP1 (0.59) CHUKROCK2KDM5APKN1PKN2
SCHEMBL12396541 0.78 CHUK (0.78) CHUKKIF11KDM4EGABRPGABRD
SCHEMBL30322777 0.78 CHUK (0.78) CHUKKIF11KDM4EGABRPGABRD
SCHEMBL2628365 0.77 ACHE (0.59) CHUKKIF11KDM4EGABRPGABRD
SCHEMBL20115884 0.77 CHUK (0.65) CHUKKIF11GABRPGABRDGABRA1
SCHEMBL6009650 0.75 KIF11 (0.58) CHUKKIF11GABRPGABRDALDH1A1
SCHEMBL30414171 0.75 KIF11 (0.58) CHUKKIF11GABRPGABRDALDH1A1
SCHEMBL6008260 0.75 KIF11 (0.58) CHUKKIF11ALDH1A1MAPK10RIPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 52/4885KIF11 3229/4885ROCK2 2204/4885
US-20020099068-A1 Substituted beta carbolines CSNK1A1, CSNK2A1, CSNK2B CHUK 52/4885KIF11 3229/4885ROCK2 2204/4885
US-20060166978-A1 Substituted beta carbolines NFKBIA, RELA, IKBKG CHUK 8/4885KIF11 4506/4885ROCK2 1712/4885

“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.