SCHEMBL3995507

SCHEMBL3995507

CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(Cl)ncc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ RAB9A P51151 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 5/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ MERTK Q12866 1/20 0.37
▸ ALDH3A1 P30838 1/20 0.37
▸ PIN1 Q13526 1/20 0.36

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
SCHEMBL4716677 0.83 GAA (0.63) HTTGAARAB9ANPC1MAPT
SCHEMBL30578466 0.83 GAA (0.63) HTTGAARAB9ANPC1MAPT
SCHEMBL14656709 0.77 MERTK (0.49) HTTGAARAB9AMEN1KMT2A
SCHEMBL4002405 0.77 L3MBTL1 (0.58) HTTGAAMEN1KMT2AMAPT
SCHEMBL26775065 0.76 MERTK (0.46) HTTGAARAB9AMEN1KMT2A
SCHEMBL23535498 0.76 MAPT (0.58) HTTGAARAB9AMEN1KMT2A
SCHEMBL4002579 0.76 AR (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL30578494 0.76 AR (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL27473171 0.73 AHR (0.45) HTTGAARAB9AMEN1KMT2A
SCHEMBL12422253 0.72 MAPK1 (0.47) HTTMAPTMAPK1ALDH1A1TDP1

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 HTT 4550/4885GAA 3133/4885RAB9A 641/4885

“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.

Send feedback