SCHEMBL4004924

SCHEMBL4004924

Nc1cnc(Oc2cccc(S(=O)(=O)NCCN3CCOCC3)c2)cc1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL4003921 0.87 ALDH1A1 (0.49) KMT2AEPHX2POLBALDH1A1MAPK1
SCHEMBL4008593 0.75 POLB (0.41) KMT2AEPHX2POLBALDH1A1MAPK1
SCHEMBL3999988 0.74 ROCK1 (0.54) KMT2APOLBALDH1A1MAPK1
SCHEMBL4008566 0.73 POLB (0.67) POLBALDH1A1MAPK1TDP1NPSR1
SCHEMBL1361813 0.72 ALDH1A1 (0.64) KMT2AEPHX2POLBALDH1A1MAPK1
Nitrous Acid SCHEMBL4133322 0.72 ROCK1 (0.50) KMT2APOLBALDH1A1MAPK1SMN1; SMN2
SCHEMBL3719058 0.71 PKM (0.69) KMT2AEPHX2POLBALDH1A1MAPK1
SCHEMBL4618073 0.71 ALDH1A1 (0.62) KMT2AEPHX2POLBALDH1A1MAPK1
SCHEMBL4008087 0.69 ROCK1 (0.39) KMT2AEPHX2POLBALDH1A1MAPK1
SCHEMBL1518788 0.69 NEK1 (0.54) KMT2AEPHX2POLBALDH1A1MAPK1

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 KMT2A 1939/4885EPHX2 3207/4885POLB 1713/4885

“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.