SCHEMBL4008794

SCHEMBL4008794

CC(=O)Nc1cccc(Oc2cc(Nc3ccccc3)c(N)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ ROCK1 Q13464 1/20 0.47
▸ BRAF P15056 1/20 0.46
▸ MTNR1A P48039 1/20 0.45
▸ MTNR1B P49286 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ NR2E3 Q9Y5X4 1/20 0.44
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KDR P35968 2/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ CASP3 P42574 1/20 0.43

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
SCHEMBL3993078 0.93 MTNR1A (0.46) NPC1RAB9ASMN1; SMN2ROCK1BRAF
SCHEMBL4002272 0.83 MEN1 (0.59) NPC1RAB9ASMN1; SMN2BRAFMTNR1A
SCHEMBL3998615 0.82 MEN1 (0.58) NPC1RAB9ASMN1; SMN2BRAFMTNR1A
SCHEMBL3998610 0.81 MEN1 (0.57) NPC1RAB9ASMN1; SMN2BRAFMTNR1A
SCHEMBL4008389 0.79 ROCK1 (0.45) ROCK1BRAFKDRCDK8
SCHEMBL4008675 0.77 NR1H2 (0.47) NPC1RAB9AROCK1
SCHEMBL3998754 0.77 MEN1 (0.56) SMN1; SMN2BRAFMTNR1AMTNR1BMEN1
SCHEMBL12888865 0.75 MAPK1 (0.65) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL3728925 0.74 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2MTNR1AMTNR1B
SCHEMBL21697451 0.74 EGFR (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 NPC1 4184/4885RAB9A 641/4885SMN1; SMN2 3561/4885

“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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