SCHEMBL25595271

SCHEMBL25595271

CNc1cc(Oc2ccnc(NC(C)=O)c2)cnc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 3/20 0.45
MAPK14 Q16539 8/20 0.43
HTT P42858 1/20 0.42
MAPK13 O15264 3/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PIK3C3 Q8NEB9 1/20 0.39
BRAF P15056 5/20 0.39

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
SCHEMBL23795609 0.84 HTT (0.49) GCKMAPK14HTTMAPK13MEN1
SCHEMBL13788542 0.83 HTT (0.56) GCKMAPK14HTTMAPK13MEN1
SCHEMBL25746357 0.82 GCK (0.37) GCKMAPK14BRAF
SCHEMBL24007188 0.82 PIK3C3 (0.48) GCKMAPK14MAPK13PIK3C3
SCHEMBL16037109 0.80 MAPK14 (0.46) GCKMAPK14MAPK13CYP1A2GAA
SCHEMBL25442171 0.79 GCK (0.42) GCKMAPK14CYP1A2GAAMEN1
SCHEMBL23795587 0.77 MAPK14 (0.50) GCKMAPK14MAPK13BRAF
SCHEMBL30313600 0.77 MAPK14 (0.50) GCKMAPK14MAPK13BRAF
SCHEMBL4321912 0.76 HTT (0.47) GCKMAPK14HTTMEN1KMT2A
SCHEMBL4326000 0.75 MAPK14 (0.53) GCKMAPK14MAPK13BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS SCHRÖDINGER, INC. 2023-06-01 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 (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-20230167110-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B GCK 2344/4885MAPK14 596/4885HTT 1969/4885

“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.