SCHEMBL1328004

SCHEMBL1328004

COc1cccc(C#Cc2ccnc3[nH]ccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
BRD4 O60885 2/20 0.39
ROCK1 Q13464 3/20 0.37
JAK2 O60674 2/20 0.37
PRKACA P17612 2/20 0.37
JAK3 P52333 2/20 0.37
PRKCQ Q04759 2/20 0.37
ROCK2 O75116 1/20 0.37
PRKCA P17252 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
PRKCD Q05655 1/20 0.37
PRKCI P41743 3/20 0.37
AXL P30530 1/20 0.37
AURKB Q96GD4 2/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
DAPK3 O43293 1/20 0.37
PRKD3 O94806 1/20 0.37

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
SCHEMBL1328586 0.83 GRM5 (0.50) ROCK1JAK2PRKACAJAK3PRKCQ
SCHEMBL24678721 0.82 AXL (0.44) CCNKCDK12BRD4PRKCIAXL
SCHEMBL30084240 0.82 AXL (0.44) CCNKCDK12BRD4PRKCIAXL
SCHEMBL1327879 0.81 NUDT1 (0.42) ROCK1JAK2PRKACAJAK3PRKCQ
SCHEMBL1328230 0.77 PRKCI (0.51) CCNKCDK12ROCK1JAK2PRKACA
SCHEMBL1327827 0.76 BRD4 (0.48) CCNKCDK12BRD4ROCK1JAK2
SCHEMBL1329294 0.76 GRM5 (0.46) CCNKCDK12BRD4JAK2JAK3
SCHEMBL1329848 0.75 AAK1 (0.52) CCNKCDK12BRD4ROCK1ROCK2
SCHEMBL30084251 0.74 JAK1 (0.47) JAK2JAK3
SCHEMBL24678419 0.74 JAK1 (0.47) JAK2JAK3

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 CCNK 313/4885CDK12 307/4885BRD4 1599/4885

“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.