SCHEMBL1328693

SCHEMBL1328693

CC(C)(C)OC(=O)NCc1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.41
JAK2 O60674 4/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
ACACB O00763 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NUDT1 P36639 2/20 0.38
KCNA5 P22460 1/20 0.38
NAMPT P43490 1/20 0.37
KDM4A O75164 1/20 0.36
CYP1A2 P05177 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NSD2 O96028 1/20 0.35
GLS O94925 1/20 0.35
BTK Q06187 1/20 0.35

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
SCHEMBL1328371 0.84 ANO1 (0.40) JAK2JAK3NUDT1BTK
SCHEMBL1327513 0.84 NUDT1 (0.37) JAK1JAK2TYK2JAK3NUDT1
SCHEMBL568259 0.82 NUDT1 (0.46) JAK1JAK2TYK2JAK3ACACB
SCHEMBL12127211 0.82 NUDT1 (0.50) JAK1JAK2TYK2JAK3ACACB
SCHEMBL14907661 0.82 NUDT1 (0.40) JAK1JAK2TYK2JAK3ACACB
SCHEMBL1328119 0.82 NUDT1 (0.37) JAK1JAK2TYK2JAK3NUDT1
SCHEMBL1328341 0.81 BTK (0.49) JAK1JAK2TYK2JAK3NUDT1
SCHEMBL27847620 0.81 NUDT1 (0.38) JAK1JAK2TYK2JAK3NUDT1
SCHEMBL1329344 0.80 ANO1 (0.41) JAK2JAK3NUDT1CYP1A2
SCHEMBL1327519 0.79 KMT2A (0.49) CYP1A2HDAC6MEN1KMT2ABTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US disclosed
US-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US 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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP3K19, MAP3K20, MAP3K1 JAK1 193/4885JAK2 196/4885TYK2 382/4885

“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.