SCHEMBL573826

SCHEMBL573826

O=C(/N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1C1CCC(C(=O)N2CCOCC2)CC1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ AURKA O14965 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ ALK Q9UM73 3/20 0.39
▸ CYP3A4 P08684 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37

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
SCHEMBL573827 1.00 SPR (0.42) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573825 1.00 SPR (0.42) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573828 1.00 SPR (0.42) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573912 0.95 ALK (0.43) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573914 0.95 ALK (0.43) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573911 0.95 ALK (0.43) SPRHRH3NPC1RAB9AAURKA
SCHEMBL573913 0.95 ALK (0.43) SPRHRH3NPC1RAB9AAURKA
SCHEMBL572342 0.95 HRH3 (0.42) SPRHRH3NPC1RAB9AAURKA
SCHEMBL572343 0.95 HRH3 (0.42) SPRHRH3NPC1RAB9AAURKA
SCHEMBL572341 0.95 HRH3 (0.42) SPRHRH3NPC1RAB9AAURKA

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 SPR 4553/4885HRH3 4105/4885NPC1 1741/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SPR 4553/4885HRH3 4105/4885NPC1 1741/4885

“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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