SCHEMBL10270095

SCHEMBL10270095

CCOC(=O)[C@H]1CC[C@@H](n2c(NC(=O)c3ccc(F)cc3)nc3ccc(CO)cc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 18/20 0.67
▸ MET P08581 1/20 0.67
▸ SPR P35270 2/20 0.62
▸ NTRK1 P04629 1/20 0.55
▸ INSR P06213 1/20 0.55
▸ LCK P06239 1/20 0.55
▸ LTK P29376 1/20 0.55
▸ AXL P30530 1/20 0.55
▸ FLT3 P36888 1/20 0.55
▸ IRAK1 P51617 1/20 0.55
▸ MAP4K2 Q12851 1/20 0.55
▸ MERTK Q12866 1/20 0.55
▸ MAP3K7 O43318 1/20 0.54
▸ IRAK4 Q9NWZ3 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
SCHEMBL15199148 0.93 ALK (0.69) ALKMETSPRMAP3K7IRAK4
SCHEMBL17210457 0.92 ALK (0.66) ALKMETSPRNTRK1INSR
SCHEMBL572511 0.88 SPR (0.78) ALKSPRNTRK1INSRLCK
SCHEMBL15199160 0.87 ALK (0.66) ALKMETSPRNTRK1INSR
SCHEMBL17208390 0.86 ALK (0.67) ALKMETSPRMAP3K7IRAK4
SCHEMBL572240 0.83 ALK (0.78) ALKMETSPRMAP3K7IRAK4
SCHEMBL10270274 0.83 ALK (0.78) ALKMETSPRMAP3K7IRAK4
SCHEMBL29313605 0.81 ALK (0.60) ALKMETIRAK1MAP3K7IRAK4
SCHEMBL10270232 0.81 ALK (0.85) ALKMETSPRNTRK1INSR
SCHEMBL15192876 0.81 ALK (0.85) ALKMETSPRNTRK1INSR

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 10 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 — — US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 — — US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 — — US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 — — 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
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 — — US disclosed
WO-2013074518-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. (US) 2013-05-23 — — WO 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 8/4885MET 641/4885SPR 4553/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 ALK 53/4885MET 92/4885SPR 3552/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 ALK 8/4885MET 641/4885SPR 4553/4885

“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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