SCHEMBL3728671

SCHEMBL3728671

Cc1cccc(C)c1C#Cc1ccnc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.42
AXL P30530 2/20 0.42
IKBKB O14920 4/20 0.42
ROCK1 Q13464 3/20 0.42
JAK2 O60674 3/20 0.42
CHUK O15111 3/20 0.42
PRKACA P17612 2/20 0.42
JAK3 P52333 2/20 0.42
PRKCQ Q04759 2/20 0.42
AURKB Q96GD4 2/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
IGF1R P08069 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42

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
SCHEMBL1328408 0.87 ROCK1 (0.46) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1329406 0.82 PRKCI (0.54) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL3723651 0.82 NUDT1 (0.46) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1328236 0.79 NUDT1 (0.46) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1329223 0.79 GRM5 (0.43) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1328586 0.79 GRM5 (0.50) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1328989 0.79 PRKCI (0.45) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1329786 0.78 PRKCI (0.47) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1328009 0.78 PRKCI (0.44) PRKCIAXLIKBKBROCK1JAK2
SCHEMBL1327698 0.77 JAK2 (0.43) PRKCIAXLIKBKBROCK1JAK2

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
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 PRKCI 46/4885AXL 383/4885IKBKB 436/4885

“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.