SCHEMBL571742

SCHEMBL571742

O=C(Nc1nc2ccc(CN3CCOCC3)cc2n1C1CCC(C(=O)O)CC1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.73
▸ SPR P35270 1/20 0.72
▸ MET P08581 1/20 0.68
▸ IRAK4 Q9NWZ3 1/20 0.59
▸ EGFR P00533 2/20 0.58
▸ NTRK1 P04629 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ LTK P29376 1/20 0.54
▸ AXL P30530 1/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ IRAK1 P51617 1/20 0.54
▸ MAP4K2 Q12851 1/20 0.54
▸ MERTK Q12866 1/20 0.54

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
SCHEMBL10270132 0.92 ALK (0.85) ALKSPRMETIRAK4EGFR
SCHEMBL571741 0.88 SPR (0.57) ALKSPRMETIRAK4EGFR
SCHEMBL571731 0.85 ALK (0.66) ALKSPRMETIRAK4EGFR
SCHEMBL572147 0.84 ALK (1.00) ALKSPRMETIRAK4NTRK1
SCHEMBL572146 0.84 ALK (1.00) ALKSPRMETIRAK4NTRK1
SCHEMBL10270812 0.84 SPR (1.00) ALKSPRMETNTRK1INSR
Hydrochloric Acid SCHEMBL572501 0.83 SPR (0.98) ALKSPRMETNTRK1INSR
Hydrochloric Acid SCHEMBL15192469 0.83 SPR (0.98) ALKSPRMETNTRK1INSR
SCHEMBL573407 0.82 ALK (1.00) ALKSPRMETNTRK1INSR
SCHEMBL571804 0.82 ALK (1.00) ALKSPRMETNTRK1INSR

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 6 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-20140350044-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2014-11-27 — — 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 (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 8/4885SPR 4553/4885MET 641/4885
US-20140350044-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 ALK 4050/4885SPR 1184/4885MET 4696/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885SPR 4553/4885MET 641/4885

“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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