SCHEMBL572953

SCHEMBL572953

COc1ccc(COc2ccc3nc(N)n([C@H]4CC[C@@H](C(=O)NC(C)C)CC4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.47
▸ SPR P35270 1/20 0.43
▸ ACACB O00763 1/20 0.42
▸ INSR P06213 2/20 0.42
▸ LCK P06239 2/20 0.42
▸ LTK P29376 2/20 0.42
▸ AXL P30530 2/20 0.42
▸ IRAK1 P51617 2/20 0.42
▸ MAP4K2 Q12851 2/20 0.42
▸ MERTK Q12866 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 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
SCHEMBL572954 1.00 ALK (0.47) ALKSPRACACBINSRLCK
SCHEMBL572582 0.83 ALK (0.70) ALKSPRINSRLCKLTK
SCHEMBL573506 0.83 ALK (0.53) ALKSPRINSRLCKLTK
SCHEMBL572583 0.83 ALK (0.70) ALKSPRINSRLCKLTK
SCHEMBL572189 0.83 ALK (0.53) ALKSPRINSRLCKLTK
SCHEMBL15199151 0.79 ALK (0.64) ALKSPRINSRLCKLTK
SCHEMBL574085 0.79 ALK (0.48) ALKSPR
SCHEMBL574086 0.79 ALK (0.48) ALKSPR
SCHEMBL571869 0.77 ACACB (0.45) ACACB
SCHEMBL571868 0.77 ACACB (0.45) ACACB

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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 — — EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — 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 (2 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885SPR 4553/4885ACACB 684/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885SPR 4553/4885ACACB 684/4885

“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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