SCHEMBL1025622

SCHEMBL1025622

COC(=O)c1cc(N)cc(CCc2cccc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TLR7 Q9NYK1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP17A1 P05093 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
LMNA P02545 1/20 0.40
HIF1A Q16665 2/20 0.39
HTT P42858 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
SCHEMBL13622713 0.86 AURKA (0.48) ALDH1A1AURKARPS6KB1CYP3A4CYP2C19
SCHEMBL1082210 0.81 AURKA (0.44) ALDH1A1HPGDAURKARPS6KB1CYP3A4
SCHEMBL1024064 0.81 STK17B (0.43) ALDH1A1HPGDAURKARPS6KB1CYP3A4
SCHEMBL7156537 0.80 MGLL (0.52) ALDH1A1HPGDAURKARPS6KB1CYP3A4
SCHEMBL13622732 0.79 KAT6A (0.41) AURKARPS6KB1CYP3A4CYP2C19TLR7
SCHEMBL31370757 0.79 AURKA (0.50) AURKARPS6KB1CYP3A4CYP2C19TLR7
SCHEMBL24915019 0.78 KDM4E (0.50) ALDH1A1HPGDHDAC3HDAC1HDAC2
SCHEMBL13669878 0.77 NOX4 (0.45) ALDH1A1AURKARPS6KB1CYP3A4CYP2C19
SCHEMBL13801959 0.77 CYP3A4 (0.50) HPGDAURKARPS6KB1CYP3A4CYP2C19
SCHEMBL13623152 0.77 CYP3A4 (0.50) CYP4F2CYP4A11AURKARPS6KB1CYP3A4

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK CYP4F2 3950/4885CYP4A11 2682/4885ALDH1A1 2511/4885

“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.