SCHEMBL6449323

SCHEMBL6449323

O=[N+]([O-])c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.77
MAPK11 Q15759 12/20 0.77
MAPK13 O15264 11/20 0.77
MAPK12 P53778 11/20 0.77
ALOX5 P09917 10/20 0.77
MAPT P10636 3/20 0.77
ALDH1A1 P00352 3/20 0.77
MEN1 O00255 2/20 0.77
KMT2A Q03164 2/20 0.77
RIPK2 O43353 2/20 0.77
GMNN O75496 2/20 0.77
LMNA P02545 2/20 0.77
CYP3A4 P08684 2/20 0.77
ALOX15 P16050 2/20 0.77
NFKB1 P19838 2/20 0.77
MAPK1 P28482 2/20 0.77
THPO P40225 2/20 0.77
BLM P54132 2/20 0.77
PMP22 Q01453 2/20 0.77
TDP1 Q9NUW8 2/20 0.77

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
SCHEMBL6469515 0.91 ALOX5 (0.71) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6468507 0.89 ALOX5 (0.69) MAPK14MAPK11MAPK13MAPK12ALOX5
Pd-169316 SCHEMBL154958 0.87 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12ALOX5
Pd-169316 SCHEMBL9899161 0.87 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL2126513 0.84 MAPT (0.74) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL2946263 0.82 MAPT (0.61) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6469131 0.82 MMP13 (0.65) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL4552042 0.82 ALOX5 (1.00) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL6469468 0.81 MAPK11 (0.69) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL4478218 0.81 ALOX5 (0.61) MAPK14MAPK11MAPK13MAPK12ALOX5

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
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US claimed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP claimed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 WO claimed
US-20240000821-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER UNIV JOHNS HOPKINS (US) 2024-01-04 US disclosed
US-20200078387-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY 2020-03-12 US disclosed
WO-2018112342-A1 CHEMICAL INHIBITORS AGAINST KINASES TO BLOCK TELOMERE ELONGATION IN CANCER THE JOHNS HOPKINS UNIVERSITY (US) 2018-06-21 WO disclosed
US-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections AXXIMA PHARMACEUTICAL AG. (DE) 2005-09-15 US disclosed
EP-1532118-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS Axxima Pharmaceuticals Aktiengesellschaft (DE) 2005-05-25 EP disclosed
WO-2004005264-A2 IMIDAZOLE COMPOUNDS FOR THE TREATMENT OF HEPATITIS C VIRUS INFECTIONS AXXIMA PHARMACEUTICALS AG (DE) 2004-01-15 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 (1 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-20050203155-A1 Imidazole compounds and human cellular proteins casein kinase I alpha, delta and epsilon as targets for medical intervention against Hepatitis C Virus infections CSNK1G1, CSNK1E, CSNK1D MAPK14 662/4885MAPK11 1215/4885MAPK13 456/4885

“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.