SCHEMBL573449

SCHEMBL573449

O=C(/N=c1/[nH]c2ccc(CN3CCOCC3)cc2n1C1CCC(C(=O)NO)CC1)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.43
ALK Q9UM73 10/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NTRK1 P04629 1/20 0.40
INSR P06213 1/20 0.40
LCK P06239 1/20 0.40
LTK P29376 1/20 0.40
AXL P30530 1/20 0.40
FLT3 P36888 1/20 0.40
IRAK1 P51617 1/20 0.40
MAP4K2 Q12851 1/20 0.40
MERTK Q12866 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
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 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
SCHEMBL573450 1.00 SPR (0.43) SPRALKNPC1RAB9ANTRK1
SCHEMBL573451 1.00 SPR (0.43) SPRALKNPC1RAB9ANTRK1
SCHEMBL573448 1.00 SPR (0.43) SPRALKNPC1RAB9ANTRK1
SCHEMBL572395 0.92 SPR (0.49) SPRALKNPC1RAB9ANTRK1
SCHEMBL572393 0.92 SPR (0.49) SPRALKNPC1RAB9ANTRK1
SCHEMBL572394 0.92 SPR (0.49) SPRALKNPC1RAB9ANTRK1
SCHEMBL15192372 0.92 SPR (0.49) SPRALKNPC1RAB9ANTRK1
SCHEMBL572396 0.92 SPR (0.49) SPRALKNPC1RAB9ANTRK1
SCHEMBL572700 0.91 ALK (0.43) SPRALKNPC1RAB9ANTRK1
SCHEMBL573802 0.91 ALK (0.41) SPRALKNPC1RAB9ANTRK1

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 4553/4885ALK 8/4885NPC1 1741/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SPR 4553/4885ALK 8/4885NPC1 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.