SCHEMBL648227

SCHEMBL648227

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(C#N)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ITK Q08881 5/20 0.41
ADORA2A P29274 1/20 0.40
DEGS1 O15121 3/20 0.39
GCK P35557 1/20 0.39
KCNH2 Q12809 1/20 0.39
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GSK3B P49841 2/20 0.38
DYRK1A Q13627 2/20 0.38
SLC2A1 P11166 1/20 0.37
SLC2A2 P11168 1/20 0.37
SLC2A3 P11169 1/20 0.37
SLC2A4 P14672 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL646580 0.92 DEGS1 (0.45) DEGS1HPGDSALDH1A1GSK3BDYRK1A
SCHEMBL646983 0.91 ADORA2A (0.44) ADORA2AALDH1A1
SCHEMBL648016 0.91 LIPE (0.43) DEGS1HPGDSALDH1A1KDM4EMAPT
SCHEMBL648071 0.90 MAPT (0.44) DEGS1HPGDSALDH1A1LMNANPSR1
SCHEMBL646827 0.90 MAPT (0.41) DEGS1HPGDSALDH1A1LMNAGSK3B
SCHEMBL8234419 0.90 DEGS1 (0.47) DEGS1HPGDSALDH1A1GSK3BDYRK1A
SCHEMBL648772 0.90 F10 (0.42) DEGS1KCNH2HPGDSALDH1A1LMNA
SCHEMBL645596 0.90 MEN1 (0.44) DEGS1HPGDSALDH1A1KDM4EEPHX2
SCHEMBL646895 0.90 HPGDS (0.41) DEGS1HPGDSALDH1A1LMNAMAPT
SCHEMBL646984 0.89 TP53 (0.43) DEGS1HPGDSALDH1A1MAPTEPHX2

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 10 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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 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
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
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 (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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 HDAC4 172/4885HDAC6 255/4885ITK 2170/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 HDAC4 172/4885HDAC6 255/4885ITK 2170/4885

“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.