SCHEMBL14848202

SCHEMBL14848202

CC(C)(C)OC(=O)NCCCOc1ccn2ncc(-c3cccc(NC(=O)CCC(=O)O)c3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ RET P07949 1/20 0.43
▸ FYN P06241 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ ITK Q08881 3/20 0.39
▸ EGFR P00533 2/20 0.39
▸ HDAC3 O15379 6/20 0.39
▸ HDAC1 Q13547 5/20 0.39
▸ HDAC2 Q92769 5/20 0.39
▸ HDAC10 Q969S8 5/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL15891393 0.85 RET (0.44) RETFYNGFERHDAC1HDAC6
SCHEMBL15891392 0.84 FYN (0.45) CA1CA2RETFYNITK
SCHEMBL16084626 0.79 L3MBTL1 (0.41) RETFYN
SCHEMBL15891391 0.75 CA12 (0.45) TDP1CA1CA2
SCHEMBL16975591 0.74 CSNK2A1 (0.49) CA1CA2FYNITKEGFR
SCHEMBL19875239 0.74 ADORA3 (0.46) CA1CA2
SCHEMBL15894592 0.73 CSNK2A1 (0.43) FYNITKEGFRSUCNR1
SCHEMBL15891373 0.71 CSNK2A1 (0.52) RETFYN
SCHEMBL16084590 0.71 FLT3 (0.34) CA1CA2
SCHEMBL15891381 0.71 CSNK2A1 (0.50) CA1CA2FYNITKEGFR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9370520-B2 Macrocyclic LRRK2 kinase inhibitors IPSEN PHARMA S.A.S. (FR) 2016-06-21 — — US disclosed
US-9370520-B2 Macrocyclic LRRK2 kinase inhibitors IPSEN PHARMA S.A.S. (FR) 2016-06-21 — — US disclosed
US-20150290198-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2015-10-15 — — US disclosed
US-20150290198-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2015-10-15 — — US disclosed
US-9096609-B2 Macrocyclic LRRK2 kinase inhibitors IPSEN PHARMA S.A.S. (FR) 2015-08-04 — — US disclosed
US-9096609-B2 Macrocyclic LRRK2 kinase inhibitors IPSEN PHARMA S.A.S. (FR) 2015-08-04 — — US disclosed
US-20140206683-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2014-07-24 — — US disclosed
US-20140206683-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS ONCODESIGN S.A. (FR) 2014-07-24 — — US disclosed
WO-2013046029-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2013-04-04 — — 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-20150290198-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PINK1, PARK7 TDP1 981/4885CA1 4687/4885CA2 4634/4885
US-20140206683-A1 MACROCYCLIC LRRK2 KINASE INHIBITORS LRRK2, PINK1, PARK7 TDP1 981/4885CA1 4687/4885CA2 4634/4885

“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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