SCHEMBL571731

SCHEMBL571731

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

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.66
▸ SPR P35270 2/20 0.65
▸ IRAK4 Q9NWZ3 2/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ MET P08581 1/20 0.61
▸ EGFR P00533 1/20 0.50

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
SCHEMBL572511 0.91 SPR (0.78) ALKSPRIRAK4MAP3K7
SCHEMBL10270274 0.91 ALK (0.78) ALKSPRIRAK4MAP3K7MET
SCHEMBL572240 0.91 ALK (0.78) ALKSPRIRAK4MAP3K7MET
SCHEMBL571730 0.86 SPR (0.51) ALKSPRIRAK4MAP3K7MET
SCHEMBL571742 0.85 ALK (0.73) ALKSPRIRAK4METEGFR
SCHEMBL572988 0.84 ALK (0.64) ALKSPRMET
SCHEMBL17208390 0.82 ALK (0.67) ALKSPRIRAK4MAP3K7MET
SCHEMBL17210457 0.81 ALK (0.66) ALKSPRIRAK4MAP3K7MET
SCHEMBL20985426 0.81 IRAK4 (0.72) SPRIRAK4MAP3K7EGFR
SCHEMBL20985425 0.81 IRAK4 (0.72) SPRIRAK4MAP3K7EGFR

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 8/4885SPR 4553/4885IRAK4 534/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885SPR 4553/4885IRAK4 534/4885

“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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