SCHEMBL4819042

SCHEMBL4819042

Fc1cccc2c1[nH]c1cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 9/20 0.58
▸ GABRA1 P14867 2/20 0.58
▸ GABRG2 P18507 2/20 0.58
▸ GABRB3 P28472 2/20 0.58
▸ GABRA5 P31644 2/20 0.58
▸ GABRA3 P34903 2/20 0.58
▸ GABRA2 P47869 2/20 0.58
▸ TDO2 P48775 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ GABRP O00591 1/20 0.58
▸ GABRD O14764 1/20 0.58
▸ IKBKB O14920 1/20 0.58
▸ AURKA O14965 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ PIM1 P11309 1/20 0.58
▸ TOP1 P11387 1/20 0.58
▸ IDO1 P14902 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ GABRB1 P18505 1/20 0.58
▸ MAOA P21397 1/20 0.58

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
SCHEMBL29985528 0.79 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL13701001 0.79 KIF11 (0.62) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL17502357 0.79 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL2721556 0.77 KIF11 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4818361 0.76 CHUK (0.53) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL22462241 0.76 CHUK (0.57) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL12836460 0.74 FEN1 (0.52) AURKAPARP1
SCHEMBL12396541 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL30322777 0.74 CHUK (0.78) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL25834 0.74 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 52/4885GABRA1 1051/4885GABRG2 1380/4885
US-20060166978-A1 Substituted beta carbolines NFKBIA, RELA, IKBKG CHUK 8/4885GABRA1 1140/4885GABRG2 1567/4885

“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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