SCHEMBL573967

SCHEMBL573967

CC(C)NC(=O)C1CCC(n2c(=NC(=O)N3CCCC3)[nH]c3cnc(OCCN4CCCCC4)cc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 6/20 0.39
▸ AVPR1B P47901 5/20 0.35
▸ ATM Q13315 4/20 0.33
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL573968 1.00 ALK (0.39) ALKAVPR1BATMESR1ESR2
SCHEMBL573965 1.00 ALK (0.39) ALKAVPR1BATMESR1ESR2
SCHEMBL573966 1.00 ALK (0.39) ALKAVPR1BATMESR1ESR2
SCHEMBL572413 0.95 ALK (0.37) ALKAVPR1BATMMTORHRH3
SCHEMBL572412 0.95 ALK (0.37) ALKAVPR1BATMMTORHRH3
SCHEMBL572414 0.95 ALK (0.37) ALKAVPR1BATMMTORHRH3
SCHEMBL572415 0.95 ALK (0.37) ALKAVPR1BATMMTORHRH3
SCHEMBL572423 0.91 ALK (0.39) ALKAVPR1BATMPRKDCMTOR
SCHEMBL572424 0.91 ALK (0.39) ALKAVPR1BATMPRKDCMTOR
SCHEMBL572421 0.91 ALK (0.39) ALKAVPR1BATMPRKDCMTOR

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 8/4885AVPR1B 4775/4885ATM 475/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885AVPR1B 4775/4885ATM 475/4885

“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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