SCHEMBL4720283

SCHEMBL4720283

NCCc1c(Br)cncc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 2/20 0.35
AAK1 Q2M2I8 1/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CTSB P07858 1/20 0.32
KAT2B Q92831 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PRKCQ Q04759 1/20 0.30
TDP1 Q9NUW8 2/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL25343294 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL31256560 0.81 MEN1 (0.36) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL15864693 0.77 CYP1A2 (0.41) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL2767403 0.76 MEN1 (0.40) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL1958391 0.73 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL15770392 0.72 MEN1 (0.49) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL30997911 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL25302744 0.72 PDE7A (0.38) ALDH1A1CYP3A4MAPK1CTSBTSHR
SCHEMBL690072 0.69 GPR35 (0.42) MEN1KMT2AALDH1A1CYP3A4AAK1
SCHEMBL20594965 0.69 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP3A4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689393-A4 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-12-17 EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors LEE DENNIS 2007-05-31 US disclosed
EP-1689393-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
WO-2005037198-A2 PREPARATION OF 1,7-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 MEN1 2783/4885KMT2A 2695/4885ALDH1A1 4524/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA MEN1 2732/4885KMT2A 826/4885ALDH1A1 2956/4885
US-20070123561-A1 Preparation of 1,7-disubstituted azabensimidazoles as kinase inhibitors TNK2, CDC42BPB, CDC42BPA MEN1 2126/4885KMT2A 2508/4885ALDH1A1 4114/4885

“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.