SCHEMBL572341

SCHEMBL572341

CN1CCN(C(=O)C2CCC(n3/c(=N\C(=O)c4ccc(F)cc4)[nH]c4ccc(CN5CCOCC5)cc43)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.42
▸ SPR P35270 1/20 0.40
▸ ALK Q9UM73 5/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ AURKA O14965 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 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
SCHEMBL572343 1.00 HRH3 (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL572342 1.00 HRH3 (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL572340 1.00 HRH3 (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL573825 0.95 SPR (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL573826 0.95 SPR (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL573827 0.95 SPR (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL573828 0.95 SPR (0.42) HRH3SPRALKCYP3A4AURKA
SCHEMBL573914 0.92 ALK (0.43) HRH3SPRALKCYP3A4AURKA
SCHEMBL573913 0.92 ALK (0.43) HRH3SPRALKCYP3A4AURKA
SCHEMBL573912 0.92 ALK (0.43) HRH3SPRALKCYP3A4AURKA

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 HRH3 4105/4885SPR 4553/4885ALK 8/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HRH3 4105/4885SPR 4553/4885ALK 8/4885

“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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