SCHEMBL13622710

SCHEMBL13622710

CC(C)(C)OC(=O)Nc1cccc(C#Cc2cccc(N)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PTPN11 Q06124 1/20 0.46
DDX3X O00571 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP17A1 P05093 1/20 0.43
IKBKB O14920 3/20 0.43
SIRT2 Q8IXJ6 2/20 0.43
SIRT1 Q96EB6 1/20 0.43
KAT6A Q92794 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
SYK P43405 1/20 0.42
FFAR1 O14842 1/20 0.41
BRD4 O60885 1/20 0.41
CA1 P00915 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 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
SCHEMBL13623057 0.88 NAMPT (0.43) CYP17A1IKBKBSYKFFAR1
SCHEMBL22669530 0.88 HDAC3 (0.46) PTPN11HDAC3HDAC1HDAC2HDAC8
SCHEMBL29467525 0.88 HDAC3 (0.46) PTPN11HDAC3HDAC1HDAC2HDAC8
SCHEMBL29478358 0.87 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC1HDAC2
SCHEMBL656043 0.87 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC1HDAC2
SCHEMBL13623077 0.87 RXFP1 (0.42) ALDH1A1PTPN11HDAC3HDAC1HDAC2
SCHEMBL13623024 0.86 CYP17A1 (0.40) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL18391079 0.83 ALDH1A1 (0.54) ALDH1A1DDX3XHDAC3HDAC1HDAC2
SCHEMBL13623044 0.83 IRAK4 (0.42) CYP17A1IKBKBSYKFFAR1
SCHEMBL29008615 0.82 ALDH1A1 (0.54) ALDH1A1DDX3XHDAC3HDAC1HDAC2

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 5 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-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

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 ALDH1A1 2511/4885PTPN11 145/4885DDX3X 3846/4885

“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.