SCHEMBL16090777

SCHEMBL16090777

CCCn1c(C#N)cc2cc(C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
USP2 O75604 1/20 0.39
TLR8 Q9NR97 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CTSK P43235 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
PGR P06401 1/20 0.34

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
SCHEMBL16090778 0.87 KMT2A (0.41) KDM4ETLR8ALDH1A1KMT2AGAA
SCHEMBL30405898 0.81 PPARG (0.42) KDM4EUSP2ALDH1A1KMT2AMEN1
SCHEMBL16090776 0.81 KDM4E (0.33) KDM4EUSP2ALDH1A1KMT2AMEN1
SCHEMBL29769066 0.78 RXFP1 (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL806475 0.78 RXFP1 (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL16090775 0.78 PARG (0.37) PGRCNR2
SCHEMBL19687624 0.77 KMT2A (0.38) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL17979387 0.71 MAPT (0.45) KDM4ETLR8MAPTRXFP1ADORA2A
SCHEMBL11688432 0.71 GRIK1 (0.52) KDM4EALDH1A1KMT2AMAPTADORA2A
SCHEMBL13802535 0.71 PLA2G4A (0.51) KDM4EALDH1A1KMT2AMEN1MAPT

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
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2017-09-07 US disclosed
US-9505782-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-9505781-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-29 US disclosed
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-05-19 US disclosed
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE LEUKEMIA & LYMPHOMA SOCIETY, INC. 2016-02-18 US disclosed
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 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 (4 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-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 KDM4E 152/4885USP2 3397/4885TLR8 3110/4885
US-20160046647-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 KDM4E 125/4885USP2 3266/4885TLR8 3315/4885
US-20170253611-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 KDM4E 148/4885USP2 3131/4885TLR8 3753/4885
US-20160137665-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 KDM4E 150/4885USP2 2827/4885TLR8 3768/4885

“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.