SCHEMBL13623204

SCHEMBL13623204

CC(C)(C)OC(=O)Nc1cccc(NC(=O)CCc2cccc(N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
RAB9A P51151 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 3/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL29660117 0.89 MAPT (0.56) MAPTGAARAB9ACA1CA2
SCHEMBL21091247 0.89 MAPT (0.56) MAPTGAARAB9ACA1CA2
SCHEMBL13622713 0.89 AURKA (0.48) CA1CA2ALDH1A1HDAC3HDAC1
SCHEMBL13623022 0.88 USP2 (0.47) MAPTCA1CA2ALDH1A1HDAC3
SCHEMBL10195848 0.87 MAPT (0.62) MAPTGAARAB9AALDH1A1HPGD
SCHEMBL13623115 0.83 AURKA (0.53) CA1CA2ALDH1A1HDAC3HDAC1
SCHEMBL13623197 0.82 TRPV1 (0.66) MAPTGAARAB9AALDH1A1CYP3A4
SCHEMBL29478358 0.82 ALDH1A1 (0.60) MAPTCA1CA2ALDH1A1HDAC3
SCHEMBL656043 0.82 ALDH1A1 (0.60) MAPTCA1CA2ALDH1A1HDAC3
SCHEMBL13623132 0.82 SIRT2 (0.48) CA1CA2ALDH1A1HDAC3HDAC1

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 MAPT 3239/4885GAA 2377/4885RAB9A 1998/4885

“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.