SCHEMBL572412

SCHEMBL572412

CC(C)NC(=O)[C@H]1CC[C@@H](n2/c(=N/C(=O)N3CCOCC3)[nH]c3cnc(OCCN4CCCCC4)cc32)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.37
▸ ATM Q13315 6/20 0.36
▸ MTOR P42345 3/20 0.36
▸ SIGMAR1 Q99720 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ AVPR1B P47901 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ MAP3K11 Q16584 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ AKT1 P31749 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL572413 1.00 ALK (0.37) ALKATMMTORSIGMAR1PIK3CA
SCHEMBL572415 1.00 ALK (0.37) ALKATMMTORSIGMAR1PIK3CA
SCHEMBL572414 1.00 ALK (0.37) ALKATMMTORSIGMAR1PIK3CA
SCHEMBL573967 0.95 ALK (0.39) ALKATMMTORAVPR1BHRH3
SCHEMBL573966 0.95 ALK (0.39) ALKATMMTORAVPR1BHRH3
SCHEMBL573965 0.95 ALK (0.39) ALKATMMTORAVPR1BHRH3
SCHEMBL573968 0.95 ALK (0.39) ALKATMMTORAVPR1BHRH3
SCHEMBL572422 0.88 ALK (0.39) ALKATMMTORSIGMAR1AVPR1B
SCHEMBL572423 0.88 ALK (0.39) ALKATMMTORSIGMAR1AVPR1B
SCHEMBL572424 0.88 ALK (0.39) ALKATMMTORSIGMAR1AVPR1B

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 11 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — 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
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-2013074518-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. (US) 2013-05-23 — — WO disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 — — WO 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 (3 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 8/4885ATM 475/4885MTOR 159/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 ALK 53/4885ATM 416/4885MTOR 476/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885ATM 475/4885MTOR 159/4885

“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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