SCHEMBL1329657

SCHEMBL1329657

CC(=O)c1ccccc1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.51
PRKD3 O94806 3/20 0.51
PAK4 O96013 3/20 0.51
PRKACA P17612 3/20 0.51
LTK P29376 3/20 0.51
GRK5 P34947 3/20 0.51
CLK2 P49760 3/20 0.51
CDK7 P50613 3/20 0.51
RPS6KA3 P51812 3/20 0.51
PRKX P51817 3/20 0.51
PRKCQ Q04759 3/20 0.51
MST1R Q04912 3/20 0.51
LRRK2 Q5S007 3/20 0.51
CLK4 Q9HAZ1 3/20 0.51
CAMK2A Q9UQM7 3/20 0.51
DYRK1B Q9Y463 3/20 0.51
DAPK3 O43293 2/20 0.51
MAP4K4 O95819 2/20 0.51
CSF1R P07333 2/20 0.51
RET P07949 2/20 0.51

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
SCHEMBL1329895 0.87 NUDT1 (0.48) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1330027 0.87 NUDT1 (0.62) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1330205 0.82 JAK2 (0.43) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1328408 0.79 ROCK1 (0.46) JAK2PRKD3PAK4PRKACALTK
SCHEMBL27829004 0.79 NUDT1 (0.43) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1327987 0.78 PTK2 (0.43) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1328071 0.78 PRKCI (0.46) JAK2PRKD3PAK4PRKACALTK
SCHEMBL1328116 0.77 NUDT1 (0.44) JAK2PRKD3PAK4PRKACALTK
SCHEMBL10125427 0.77 NUDT1 (0.75) JAK2PRKD3PAK4PRKACALTK
SCHEMBL27829003 0.77 ROCK1 (0.44) JAK2PRKD3PAK4PRKACALTK

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-20110282056-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-11-17 US claimed
EP-2231282-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF Merck Patent GmbH (DE) 2010-09-29 EP claimed
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO claimed
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 JAK2 196/4885PRKD3 105/4885PAK4 171/4885

“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.