SCHEMBL10124739

SCHEMBL10124739

Nc1cnc(Nc2ccccc2[N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.58
MAPK1 P28482 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
CASP7 P55210 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 7/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 2/20 0.47
GAA P10253 1/20 0.47
PIK3CA P42336 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
EPAS1 Q99814 1/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 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) EGFRMAPK1ALDH1A1TDP1CASP7
SCHEMBL10124752 0.82 MAPT (0.53) EGFRMAPK1ALDH1A1TDP1CASP7
SCHEMBL9995235 0.77 KMT2A (0.61) EGFRMAPK1ALDH1A1TDP1CASP7
SCHEMBL4946668 0.77 KDM4E (0.60) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL3845592 0.77 AHR (0.61) EGFRMAPK1ALDH1A1TDP1CASP7
SCHEMBL10124732 0.76 MAPK10 (0.53) EGFRALDH1A1TDP1MAPTMEN1
SCHEMBL4810409 0.75 MEN1 (0.71) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL29744982 0.75 MEN1 (0.71) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL397773 0.75 MAPK1 (0.77) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL6837692 0.74 EGFR (1.00) EGFRABCG2

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 EGFR 2057/4885MAPK1 2446/4885ALDH1A1 3637/4885
US-20100273751-A1 SUBSTITUTED BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, IL5, NLRP1 EGFR 2436/4885MAPK1 2097/4885ALDH1A1 2760/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 EGFR 2057/4885MAPK1 2446/4885ALDH1A1 3637/4885

“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.