SCHEMBL1328241

SCHEMBL1328241

O=C(c1ccc(C#Cc2ccnc3[nH]ccc23)cc1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.43
ROCK2 O75116 5/20 0.41
PRKCI P41743 4/20 0.41
ROCK1 Q13464 3/20 0.41
PBK Q96KB5 3/20 0.41
PRKD3 O94806 2/20 0.41
PRKACA P17612 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCD Q05655 2/20 0.41
PKN2 Q16513 2/20 0.41
PRKD2 Q9BZL6 2/20 0.41
PLK4 O00444 1/20 0.41
PDPK1 O15530 1/20 0.41
RPS6KA5 O75582 1/20 0.41
PAK4 O96013 1/20 0.41
PRKCG P05129 1/20 0.41
CDK1 P06493 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
LTK P29376 1/20 0.41

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
SCHEMBL1328801 0.81 KDM4E (0.46) ROCK2PRKCIROCK1PRKD3PRKACA
SCHEMBL1327734 0.78 PRKCI (0.44) JAK3ROCK2PRKCIROCK1PRKD3
SCHEMBL12125812 0.78 PRKCI (0.44) JAK3PRKCIROCK1PRKD3PRKACA
SCHEMBL1328582 0.76 KDM4E (0.55) JAK3RAB9ACIT
SCHEMBL1329976 0.75 PRKCI (0.44) JAK3PRKCIROCK1PBKPRKD3
SCHEMBL1328469 0.75 PRKCI (0.44) JAK3PRKCIROCK1PRKD3PRKACA
SCHEMBL1328009 0.75 PRKCI (0.44) JAK3PRKCIROCK1PRKD3PRKACA
SCHEMBL857174 0.75 JAK2 (0.53) JAK3PRKCIROCK1PRKD3PRKACA
SCHEMBL1328069 0.75 PRKCI (0.46) JAK3PRKCIROCK1PRKD3PRKACA
SCHEMBL1328714 0.75 FFAR1 (0.42) PRKCIROCK1IKBKBCHUKCIT

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 JAK3 295/4885ROCK2 407/4885PRKCI 46/4885

“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.