SCHEMBL4002272

SCHEMBL4002272

CC(=O)Nc1cccc(Oc2cc(Nc3ccccc3)c([N+](=O)[O-])cn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ JAK2 O60674 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ PTK2B Q14289 1/20 0.44
▸ HCAR3 P49019 1/20 0.44
▸ PLK1 P53350 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDR P35968 1/20 0.42

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
SCHEMBL3998615 0.99 MEN1 (0.58) MEN1KMT2AJAK2MAPTHPGD
SCHEMBL3998610 0.98 MEN1 (0.57) MEN1KMT2AJAK2MAPTHPGD
SCHEMBL3998754 0.93 MEN1 (0.56) MEN1KMT2AJAK2MAPTHPGD
SCHEMBL3999930 0.83 MAPT (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL3999937 0.83 MAPT (0.51) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4008794 0.83 NPC1 (0.48) MEN1KMT2AHPGDSMN1; SMN2NPC1
SCHEMBL4003892 0.81 MEN1 (0.48) MEN1KMT2AJAK2MAPTHPGD
SCHEMBL4003886 0.81 MEN1 (0.48) MEN1KMT2AJAK2MAPTHPGD
SCHEMBL4001121 0.79 MEN1 (0.43) MEN1KMT2AJAK2MAPTNPC1
SCHEMBL3737974 0.77 MEN1 (0.69) MEN1KMT2AMAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 — — US disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 — — 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 (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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB MEN1 2478/4885KMT2A 1939/4885JAK2 570/4885

“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.

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