SCHEMBL10124752

SCHEMBL10124752

Cc1cnc(Nc2ccccc2[N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
MAPK1 P28482 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CASP7 P55210 1/20 0.51
PIK3CA P42336 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 2/20 0.44
EPAS1 Q99814 1/20 0.44
NPC1 O15118 1/20 0.44
EGFR P00533 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL10124731 0.84 MAPK1 (0.53) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4946668 0.82 KDM4E (0.60) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL10124739 0.82 EGFR (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL21463438 0.79 ALDH1A1 (0.59) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL30615522 0.79 ALDH1A1 (0.59) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL30615345 0.78 MAPT (0.52) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL21464077 0.78 MAPT (0.52) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL4945790 0.78 MAPT (0.58) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL3845592 0.77 AHR (0.61) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9995235 0.77 KMT2A (0.61) MAPTMAPK1TDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-10-28 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 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 (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 MAPT 2658/4885MAPK1 2446/4885TDP1 4113/4885
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 MAPT 1109/4885MAPK1 2097/4885TDP1 3423/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 MAPT 2658/4885MAPK1 2446/4885TDP1 4113/4885

“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.