SCHEMBL1921027

SCHEMBL1921027

COC(=O)c1c(N)c2cnccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
P2RX4 Q99571 1/20 0.43
NOD2 Q9HC29 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TP53 P04637 1/20 0.42
MAPK8 P45983 2/20 0.41
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
RCE1 Q9Y256 1/20 0.41

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
SCHEMBL13015139 0.84 P2RX4 (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12533880 0.80 KDM4E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1920446 0.76 MAP2K1 (0.42) KDM4EALDH1A1HPGDNOD2MAOA
SCHEMBL1920559 0.75 LMNA (0.38) KDM4EALDH1A1HPGDNOD2MAOA
SCHEMBL4855964 0.74 P2RX4 (0.49) KDM4EALDH1A1GAAP2RX4MAOA
SCHEMBL31219110 0.74 PLA2G2A (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1920421 0.74 KDM4E (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4848873 0.72 FEN1 (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14195207 0.72 FEN1 (0.58) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL12534000 0.71 MAP2K1 (0.44) HDAC1

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-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
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
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 KDM4E 270/4885ALDH1A1 1224/4885GLA 1212/4885

“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.