SCHEMBL16245542

SCHEMBL16245542

CCOC(=O)CCCOc1ccc(-n2cnc3cnc(Nc4ccc(CCCNC(=O)OC(C)(C)C)cc4)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 4/20 0.52
▸ EGFR P00533 3/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ ITK Q08881 3/20 0.42
▸ ADORA2A P29274 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ JAK3 P52333 3/20 0.40
▸ BTK Q06187 3/20 0.40
▸ WEE1 P30291 4/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL16245605 0.98 RPS6KA3 (0.51) RPS6KA3EGFRFGFR1ITKADORA2A
SCHEMBL16245580 0.95 RPS6KA3 (0.46) RPS6KA3EGFRFGFR1ITKMEN1
SCHEMBL16245553 0.93 RPS6KA3 (0.45) RPS6KA3EGFRFGFR1ITKMEN1
SCHEMBL16245554 0.91 RPS6KA3 (0.51) RPS6KA3EGFRFGFR1ITKMEN1
SCHEMBL16245590 0.89 RPS6KA3 (0.50) RPS6KA3EGFRFGFR1ITKMEN1
SCHEMBL16245556 0.87 JAK2 (0.44) RPS6KA3FAAHJAK3
SCHEMBL16264888 0.86 ITK (0.48) RPS6KA3EGFRITKJAK3BTK
SCHEMBL16245548 0.84 ITK (0.49) EGFRFGFR1ITKADORA2A
SCHEMBL16245539 0.84 ITK (0.47) RPS6KA3EGFRITKJAK3BTK
SCHEMBL16245565 0.82 ITK (0.49) EGFRFGFR1ITKADORA2AJAK3

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 RPS6KA3 19/4885EGFR 1412/4885FGFR1 1192/4885

“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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