SCHEMBL1330150

SCHEMBL1330150

COc1ccc(C#Cc2ccnc3[nH]ccc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.49
AAK1 Q2M2I8 7/20 0.47
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KIT P10721 4/20 0.39
PRKCI P41743 2/20 0.39
AXL P30530 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
MAP3K11 Q16584 1/20 0.38
DYRK1A Q13627 1/20 0.37
CIT O14578 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL1328384 0.85 NUDT1 (0.44) BRD4AAK1AXLCIT
SCHEMBL858643 0.84 TTBK1 (0.46) BRD4ROCK2ROCK1PRKCIAXL
SCHEMBL1328773 0.83 BRD4 (0.48) BRD4AAK1ROCK1PRKCIAXL
SCHEMBL1329521 0.83 CCNK (0.44) BRD4AAK1ROCK2ROCK1PRKCI
SCHEMBL1327890 0.82 BRD4 (0.47) BRD4AAK1ROCK2KIT
SCHEMBL1329848 0.82 AAK1 (0.52) BRD4AAK1ROCK2ROCK1CCNK
SCHEMBL1327827 0.81 BRD4 (0.48) BRD4AAK1ROCK1PRKCIAXL
SCHEMBL1329294 0.81 GRM5 (0.46) BRD4AAK1PRKCIAXLCCNK
SCHEMBL1328009 0.79 PRKCI (0.44) BRD4AAK1ROCK1PRKCIAXL
SCHEMBL1328118 0.79 GRM5 (0.51) BRD4AAK1PRKCIAXLCCNK

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 2 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

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 BRD4 1599/4885AAK1 218/4885ROCK2 407/4885

“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.