SCHEMBL13623128

SCHEMBL13623128

CC(C)(C)OC(=O)Nc1cccc(CSCc2cccc(N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.46
RPS6KB1 P23443 2/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A1 P00352 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
DDX3X O00571 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CYP17A1 P05093 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NPY1R P25929 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL13623154 0.93 AURKA (0.46) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL13622713 0.89 AURKA (0.48) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL13623087 0.87 SIRT2 (0.43) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL13623132 0.86 SIRT2 (0.48) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL29478358 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC1HDAC2
SCHEMBL656043 0.84 ALDH1A1 (0.60) ALDH1A1DDX3XHDAC3HDAC1HDAC2
SCHEMBL3901291 0.84 CYP1A2 (0.53) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL13623022 0.83 USP2 (0.47) AURKARPS6KB1SIRT2ALDH1A1HDAC3
SCHEMBL13623115 0.83 AURKA (0.53) AURKARPS6KB1SIRT2ALDH1A1TLR7
SCHEMBL13623194 0.82 AURKA (0.44) AURKARPS6KB1SIRT2ALDH1A1TLR7

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 4 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
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 AURKA 53/4885RPS6KB1 369/4885SIRT2 4221/4885

“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.