SCHEMBL1329294

SCHEMBL1329294

COc1ccc(C#Cc2ccnc3[nH]ccc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
CCNK O75909 2/20 0.45
CDK12 Q9NYV4 2/20 0.45
HAO1 Q9UJM8 2/20 0.40
ACACB O00763 3/20 0.40
BRD4 O60885 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
PRKCI P41743 2/20 0.38
AXL P30530 1/20 0.38
NUDT1 P36639 1/20 0.38
MAP3K11 Q16584 1/20 0.38
CSF1R P07333 1/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
JAK2 O60674 1/20 0.36
TYK2 P29597 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
SCHEMBL858643 0.83 TTBK1 (0.46) CCNKCDK12HAO1BRD4PRKCI
SCHEMBL1330150 0.81 BRD4 (0.49) CCNKCDK12BRD4AAK1PRKCI
SCHEMBL1329521 0.79 CCNK (0.44) CCNKCDK12BRD4AAK1PRKCI
SCHEMBL1328009 0.78 PRKCI (0.44) GRM5CCNKCDK12BRD4AAK1
SCHEMBL1329456 0.78 AAK1 (0.47) GRM5AAK1PRKCIAXLNUDT1
SCHEMBL1327950 0.78 JAK3 (0.41) AAK1PRKCIAXLNUDT1CSF1R
SCHEMBL1328118 0.78 GRM5 (0.51) GRM5CCNKCDK12BRD4AAK1
SCHEMBL1329771 0.77 AAK1 (0.59) GRM5CCNKCDK12AAK1PRKCI
SCHEMBL1328801 0.76 KDM4E (0.46) AAK1PRKCIAXLNUDT1
SCHEMBL1328004 0.76 CCNK (0.39) CCNKCDK12BRD4PRKCIAXL

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
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

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 GRM5 3751/4885CCNK 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.