SCHEMBL16245584

SCHEMBL16245584

CC(C)(C)OC(=O)NCCCn1cc(Nc2nc(Cl)ncc2[N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 1/20 0.50
▸ STK17A Q9UEE5 1/20 0.50
▸ PIN1 Q13526 1/20 0.44
▸ MAPT P10636 2/20 0.38
▸ JAK3 P52333 3/20 0.37
▸ BTK Q06187 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HDAC3 O15379 8/20 0.36
▸ HDAC8 Q9BY41 8/20 0.36
▸ JAK2 O60674 8/20 0.36
▸ HDAC4 P56524 7/20 0.36
▸ HDAC1 Q13547 7/20 0.36
▸ HDAC7 Q8WUI4 7/20 0.36
▸ HDAC2 Q92769 7/20 0.36
▸ HDAC10 Q969S8 7/20 0.36
▸ HDAC11 Q96DB2 7/20 0.36
▸ HDAC6 Q9UBN7 7/20 0.36
▸ HDAC9 Q9UKV0 7/20 0.36
▸ HDAC5 Q9UQL6 7/20 0.36

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
SCHEMBL16245551 0.86 STK17B (0.53) STK17BSTK17AJAK3BTKHDAC3
SCHEMBL18869378 0.84 STK17B (0.52) STK17BSTK17AJAK3BTKHDAC3
SCHEMBL17827718 0.83 STK17B (0.46) STK17BSTK17APIN1MAPTLMNA
SCHEMBL29802555 0.80 STK17A (0.72) STK17BSTK17APIN1BRD4MEN1
SCHEMBL16245575 0.80 PIN1 (0.50) PIN1MAPTJAK3LMNAHTT
SCHEMBL16245576 0.79 EGFR (0.46) MAPTJAK3HDAC3HDAC8JAK2
SCHEMBL12968578 0.78 STK17A (0.62) STK17BSTK17APIN1MAPTBRD4
SCHEMBL16245917 0.77 PIN1 (0.55) STK17BSTK17APIN1MAPTBRD4
SCHEMBL16012447 0.77 PIN1 (0.58) PIN1MAPTJAK3LMNAJAK2
SCHEMBL16264881 0.76 ALDH1A1 (0.48) STK17BSTK17AMAPTLMNAHTT

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 7 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
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 STK17B 214/4885STK17A 246/4885PIN1 1347/4885

“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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