SCHEMBL16245556

SCHEMBL16245556

CCOC(=O)CCCOc1ccc(-n2cnc3cnc(Nc4cnn(CCCNC(=O)OC(C)(C)C)c4)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.44
▸ JAK1 P23458 8/20 0.44
▸ RPS6KA3 P51812 2/20 0.42
▸ TYK2 P29597 4/20 0.41
▸ JAK3 P52333 3/20 0.41
▸ EIF2AK4 Q9P2K8 2/20 0.41
▸ HDAC6 Q9UBN7 7/20 0.40
▸ FAAH O00519 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL16245609 0.92 JAK2 (0.42) JAK2JAK1RPS6KA3TYK2JAK3
SCHEMBL16245580 0.90 RPS6KA3 (0.46) RPS6KA3JAK3FAAH
SCHEMBL16245553 0.88 RPS6KA3 (0.45) RPS6KA3JAK3FAAH
SCHEMBL16245542 0.87 RPS6KA3 (0.52) RPS6KA3JAK3FAAH
SCHEMBL18869218 0.86 JAK1 (0.41) JAK2JAK1TYK2JAK3
SCHEMBL16245605 0.85 RPS6KA3 (0.51) RPS6KA3JAK3FAAH
SCHEMBL16246167 0.84 ITK (0.46) JAK2JAK1TYK2JAK3HDAC6
SCHEMBL16245707 0.81 EIF2AK4 (0.47) JAK2JAK1TYK2JAK3EIF2AK4
SCHEMBL16264888 0.81 ITK (0.48) RPS6KA3JAK3
SCHEMBL16245576 0.81 EGFR (0.46) JAK2JAK1TYK2JAK3HDAC6

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 JAK2 267/4885JAK1 426/4885RPS6KA3 19/4885

“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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