SCHEMBL1328773

SCHEMBL1328773

COc1ccc(OC)c(C#Cc2ccnc3[nH]ccc23)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
CCNK O75909 2/20 0.43
CDK12 Q9NYV4 2/20 0.43
DHFR P00374 1/20 0.43
MET P08581 3/20 0.41
TTBK1 Q5TCY1 4/20 0.40
TTBK2 Q6IQ55 4/20 0.40
AAK1 Q2M2I8 2/20 0.40
PRKCI P41743 2/20 0.38
AXL P30530 1/20 0.38
ROCK1 Q13464 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
SCHEMBL1327890 0.86 BRD4 (0.47) BRD4METAAK1
SCHEMBL1329848 0.84 AAK1 (0.52) BRD4CCNKCDK12TTBK1TTBK2
SCHEMBL1330150 0.83 BRD4 (0.49) BRD4CCNKCDK12AAK1PRKCI
SCHEMBL1327827 0.83 BRD4 (0.48) BRD4CCNKCDK12TTBK1TTBK2
SCHEMBL858643 0.83 TTBK1 (0.46) BRD4CCNKCDK12METTTBK1
SCHEMBL1329521 0.82 CCNK (0.44) BRD4CCNKCDK12METTTBK1
SCHEMBL1328118 0.78 GRM5 (0.51) BRD4CCNKCDK12TTBK1TTBK2
SCHEMBL10124939 0.77 BRD4 (0.61) BRD4CCNKCDK12PRKCIROCK1
SCHEMBL1328557 0.77 BRD4 (0.45) BRD4CCNKCDK12TTBK1TTBK2
SCHEMBL12346480 0.75 BRD4 (0.61) BRD4CCNKCDK12ROCK1

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

“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.