SCHEMBL16246066

SCHEMBL16246066

CC(C)(C)OC(=O)NCCCN1CCN(CCn2cc(Nc3ncc4nnn(-c5ccc(OCCCC(=O)O)cc5)c4n3)cn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 4/20 0.51
▸ MAPK6 Q16659 2/20 0.49
▸ GSK3A P49840 6/20 0.45
▸ GSK3B P49841 6/20 0.45
▸ AURKA O14965 4/20 0.45
▸ BRD4 O60885 1/20 0.38
▸ JAK3 P52333 2/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ITK Q08881 1/20 0.36
▸ WEE1 P30291 3/20 0.36
▸ SRC P12931 2/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL17821176 0.94 EIF2AK4 (0.55) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16264861 0.91 EIF2AK4 (0.55) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245534 0.88 GSK3A (0.57) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245537 0.87 EIF2AK4 (0.55) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL17821175 0.87 EIF2AK4 (0.56) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL17821182 0.85 GSK3A (0.51) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245585 0.85 EIF2AK4 (0.47) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245626 0.85 GSK3A (0.59) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245915 0.84 GSK3A (0.52) EIF2AK4MAPK6GSK3AGSK3BAURKA
SCHEMBL16245568 0.83 GSK3A (0.51) EIF2AK4MAPK6GSK3AGSK3BAURKA

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-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
US-9861635-B2 Macrocycles as kinase inhibitors MERCK PATENT GMBH (DE) 2018-01-09 — — US disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
EP-2994471-B1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2017-05-17 — — EP disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
US-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 — — US disclosed
EP-2994471-A1 MACROCYCLES AS KINASE INHIBITORS Merck Patent GmbH (DE) 2016-03-16 — — EP disclosed
WO-2014180524-A1 MACROCYCLES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2014-11-13 — — 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 (1 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-20160166574-A1 MACROCYCLES AS KINASE INHIBITORS EIF2AK4, CDK2, CDK1 EIF2AK4 1/4885MAPK6 179/4885GSK3A 523/4885

“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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