SCHEMBL1919948

SCHEMBL1919948

COC(=O)c1c(N)c2cnccc2n1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 4/20 0.43
GLA P06280 2/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HTT P42858 1/20 0.42
NCOA1 Q15788 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 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
SCHEMBL3843686 0.84 ELANE (0.40) ALDH1A1KDM4EELANERPS6KA5TDP1
SCHEMBL12533880 0.75 KDM4E (0.43) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL1920476 0.73 MAP2K1 (0.43)
SCHEMBL1920639 0.72 BRD4 (0.36) ELANECYP11B2
SCHEMBL1919943 0.72 BRD4 (0.36) ELANECYP11B2MAPK1
SCHEMBL12533856 0.72 CYP11B2 (0.34) ELANECYP11B2
SCHEMBL23624207 0.72 RPS6KA5 (0.44) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL1921027 0.71 KDM4E (0.45) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL1920421 0.69 KDM4E (0.37) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL1920371 0.67 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
EP-2099796-B1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2011-06-01 EP disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
US-7855216-B2 Aza-indolyl compounds and methods of use GENENTECH, INC. (US) 2010-12-21 US disclosed
EP-2099796-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-09-16 EP disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
US-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2008-10-02 US disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 WO disclosed
WO-2008067481-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-05 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 (1 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-20080242655-A1 AZA-INDOLYL COMPOUNDS AND METHODS OF USE CDKN1A, MKI67, CCNI ALDH1A1 1224/4885KDM4E 270/4885GAA 2671/4885

“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.