SCHEMBL16245601

SCHEMBL16245601

CCOC(=O)CCCCOc1ccc(-n2nnc3cnc(Nc4cnn(CCC5CCN(C(=O)OC(C)(C)C)CC5)c4)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK4 Q9P2K8 2/20 0.52
▸ MAPK6 Q16659 1/20 0.51
▸ JAK2 O60674 7/20 0.46
▸ JAK1 P23458 10/20 0.43
▸ TYK2 P29597 5/20 0.43
▸ GSK3A P49840 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ AURKA O14965 1/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40

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
SCHEMBL16245610 0.92 EIF2AK4 (0.51) EIF2AK4MAPK6JAK2GSK3AGSK3B
SCHEMBL17821177 0.85 EIF2AK4 (0.55) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL16245663 0.84 EIF2AK4 (0.54) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL15149198 0.83 EIF2AK4 (0.67) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL16245598 0.80 EIF2AK4 (0.54) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL16245707 0.79 EIF2AK4 (0.47) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL16012505 0.79 EIF2AK4 (0.45) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL16246001 0.78 EIF2AK4 (0.53) EIF2AK4MAPK6JAK2JAK1TYK2
SCHEMBL15148981 0.76 EIF2AK4 (0.72) EIF2AK4MAPK6JAK2GSK3AGSK3B
SCHEMBL15148686 0.76 MAPK6 (0.64) EIF2AK4MAPK6JAK2GSK3AGSK3B

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-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
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 179/4885JAK2 267/4885

“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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