SCHEMBL647067

SCHEMBL647067

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 5/20 0.49
MAPT P10636 5/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.48
IRAK1 P51617 2/20 0.45
KMT2A Q03164 5/20 0.45
MAP4K4 O95819 1/20 0.45
CSF1R P07333 1/20 0.45
CSNK1D P48730 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
MEN1 O00255 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
LMNA P02545 2/20 0.41
ABCG2 Q9UNQ0 3/20 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
SCHEMBL648743 0.91 SCD (0.51) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL646832 0.90 NPC1 (0.47) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL2092557 0.89 IRAK4 (0.49) IRAK4MAPTNPC1RAB9AALDH1A1
SCHEMBL645402 0.88 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL647817 0.88 SCD (0.45) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL645425 0.88 ALOX15 (0.49) MAPTPLGPLAUPLATSCD
SCHEMBL647532 0.87 NPC1 (0.41) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL647767 0.87 NPC1 (0.43) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL647883 0.87 GRM5 (0.45) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL646803 0.87 MEN1 (0.46) IRAK4MAPTNPC1RAB9AALDH1A1

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 12 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
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
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 IRAK4 36/4885MAPT 2658/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 IRAK4 36/4885MAPT 2658/4885NPC1 852/4885

“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.