SCHEMBL3993078

SCHEMBL3993078

CC(=O)Nc1cccc(Oc2cc(Nc3ccc(O)cc3)c(N)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ ROCK1 Q13464 1/20 0.45
▸ USP7 Q93009 2/20 0.45
▸ FYN P06241 1/20 0.45
▸ PLK1 P53350 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ EGFR P00533 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ PIP4K2A P48426 1/20 0.42
▸ PIP4K2B P78356 1/20 0.42
▸ CDK8 P49336 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL4008794 0.93 NPC1 (0.48) MTNR1AMTNR1BROCK1BRAFPIP4K2A
SCHEMBL3998754 0.84 MEN1 (0.56) MTNR1AMTNR1BPLK1BRAFEGFR
SCHEMBL4003246 0.81 MAPK10 (0.36) CDK8MEN1KMT2ARAB9A
SCHEMBL4002272 0.76 MEN1 (0.59) MTNR1AMTNR1BPLK1BRAFMEN1
SCHEMBL4008675 0.76 NR1H2 (0.47) ROCK1NPC1RAB9A
SCHEMBL3998615 0.76 MEN1 (0.58) MTNR1AMTNR1BPLK1BRAFMEN1
SCHEMBL3998610 0.75 MEN1 (0.57) MTNR1AMTNR1BPLK1BRAFMEN1
SCHEMBL4008389 0.74 ROCK1 (0.45) ROCK1BRAFCDK8KDR
SCHEMBL2845250 0.74 MTNR1A (0.64) MTNR1AMTNR1BMEN1KMT2AALDH1A1
SCHEMBL3183886 0.70 ALDH1A1 (0.72) MTNR1AMTNR1BFYNPIP4K2APIP4K2B

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 MTNR1A 3969/4885MTNR1B 3119/4885ROCK1 2/4885

“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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