SCHEMBL1329239

SCHEMBL1329239

Cc1cc(C#Cc2ccnc3[nH]ccc23)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.40
PRKCI P41743 3/20 0.37
AXL P30530 2/20 0.37
CIT O14578 1/20 0.37
BRD4 O60885 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
JAK2 O60674 6/20 0.36
JAK3 P52333 5/20 0.35
ROCK1 Q13464 4/20 0.35
ROCK2 O75116 2/20 0.35
PRKACA P17612 2/20 0.35
PRKCQ Q04759 2/20 0.35
PRKCA P17252 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
PRKCD Q05655 1/20 0.35
JAK1 P23458 3/20 0.35
TYK2 P29597 3/20 0.35
NUDT1 P36639 1/20 0.34
IKBKB O14920 1/20 0.34

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
SCHEMBL1327734 0.83 PRKCI (0.44) LRRK2PRKCIAXLJAK2JAK3
SCHEMBL1327977 0.81 AAK1 (0.46) LRRK2PRKCIAXLJAK2JAK3
SCHEMBL1328009 0.80 PRKCI (0.44) LRRK2PRKCIAXLCITBRD4
SCHEMBL1327885 0.79 PRKCI (0.42) LRRK2PRKCIAXLBRD4PIK3C3
SCHEMBL1329223 0.78 GRM5 (0.43) LRRK2PRKCIAXLBRD4JAK2
SCHEMBL78242 0.78 LRRK2 (0.56) LRRK2PRKCIAXLCITJAK2
SCHEMBL1330601 0.77 LRRK2 (0.50) LRRK2PRKCIAXLCITJAK2
SCHEMBL1330150 0.77 BRD4 (0.49) PRKCIAXLCITBRD4ROCK1
SCHEMBL12127929 0.77 PRKCI (0.54) LRRK2PRKCICITBRD4PIK3C3
SCHEMBL1328722 0.77 AAK1 (0.45) LRRK2PRKCIAXLJAK2JAK3

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 5 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
CN-101918079-A Protein kinase inhibitors and use thereof MERCK SERONO SA 2010-12-15 CN 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 LRRK2 483/4885PRKCI 46/4885AXL 383/4885

“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.