SCHEMBL573181

SCHEMBL573181

CCNC(=O)C1CCC(n2c(=NC(=O)c3ccc(F)cc3)[nH]c3ccc(CN4CCCCC4)cc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 18/20 0.53
SPR P35270 1/20 0.49
NTRK1 P04629 1/20 0.42
INSR P06213 1/20 0.42
LCK P06239 1/20 0.42
LTK P29376 1/20 0.42
AXL P30530 1/20 0.42
FLT3 P36888 1/20 0.42
IRAK1 P51617 1/20 0.42
MAP4K2 Q12851 1/20 0.42
MERTK Q12866 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL573182 1.00 ALK (0.53) ALKSPRNTRK1INSRLCK
SCHEMBL573180 1.00 ALK (0.53) ALKSPRNTRK1INSRLCK
SCHEMBL573179 1.00 ALK (0.53) ALKSPRNTRK1INSRLCK
SCHEMBL572821 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572819 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572822 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL572820 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL10270098 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL15193378 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK
SCHEMBL15193379 0.92 ALK (0.52) ALKSPRNTRK1INSRLCK

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 4553/4885NTRK1 557/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885SPR 4553/4885NTRK1 557/4885

“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.