SCHEMBL647152

SCHEMBL647152

COC(=O)c1ccc(Nc2cnccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.58
KDM4E B2RXH2 4/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
POLB P06746 1/20 0.51
AURKA O14965 1/20 0.49
RAB9A P51151 8/20 0.49
NPC1 O15118 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
USP2 O75604 1/20 0.45

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
SCHEMBL4875132 0.86 RAB9A (0.49) ROCK1KDM4EKMT2AMEN1HPGD
SCHEMBL4874678 0.83 AURKA (0.60) KDM4EKMT2AAURKARAB9ANPC1
SCHEMBL30182416 0.82 KMT2A (0.70) KDM4EKMT2APOLBRAB9ANPC1
SCHEMBL4872285 0.81 KMT2A (0.53) KDM4EKMT2AMEN1POLBAURKA
SCHEMBL6093171 0.80 NPC1 (0.68) ROCK1KDM4EKMT2AMEN1HPGD
SCHEMBL4871031 0.79 ROCK1 (0.62) ROCK1KDM4EKMT2AMEN1HPGD
SCHEMBL16264679 0.78 ALDH1A1 (0.62) KDM4EKMT2AMEN1HPGDRAB9A
SCHEMBL12482768 0.78 MEN1 (0.49) KDM4EKMT2AMEN1POLBRAB9A
SCHEMBL13043077 0.78 KDM4E (0.64) KDM4EKMT2AMEN1POLBAURKA
SCHEMBL27884841 0.77 MAPT (0.51) KDM4EKMT2AMEN1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-8324219-B2 Substituted benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-12-04 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
WO-2009038775-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2009-03-26 WO disclosed
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 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 (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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 ROCK1 2953/4885KDM4E 900/4885KMT2A 3225/4885
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 ROCK1 4352/4885KDM4E 1186/4885KMT2A 3405/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ROCK1 2953/4885KDM4E 900/4885KMT2A 3225/4885

“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.