SCHEMBL3999965

SCHEMBL3999965

COC(=O)c1cccc(Oc2cc(N)c([N+](=O)[O-])cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPK1 P28482 2/20 0.45
MAPT P10636 3/20 0.45
POLB P06746 3/20 0.45
JAK2 O60674 1/20 0.44
VCAM1 P19320 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
ERN1 O75460 1/20 0.42
PIN1 Q13526 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
SCHEMBL31176892 0.88 L3MBTL1 (0.51) L3MBTL1MAPK1MAPTPOLBVCAM1
SCHEMBL3996398 0.85 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL3635549 0.81 MAPT (0.61) L3MBTL1MAPK1MAPTPOLBALDH1A1
SCHEMBL3640462 0.77 KDM4E (0.64) L3MBTL1MAPK1MAPTPOLBALDH1A1
SCHEMBL4907248 0.76 L3MBTL1 (0.51) L3MBTL1MAPK1MAPTPOLBALDH1A1
SCHEMBL29043661 0.75 ALDH1A1 (0.48) MAPK1MAPTPOLBJAK2ALDH1A1
SCHEMBL27852804 0.74 ALDH1A1 (0.49) L3MBTL1MAPTPOLBVCAM1ALDH1A1
SCHEMBL27834942 0.74 POLB (0.50) L3MBTL1MAPTPOLBVCAM1ALDH1A1
SCHEMBL3995783 0.74 L3MBTL1 (0.46) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL1796033 0.73 MAPT (0.45) L3MBTL1MAPTPOLBALDH1A1HPGD

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-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB L3MBTL1 3496/4885MAPK1 149/4885MAPT 2720/4885

“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.