SCHEMBL1328372

SCHEMBL1328372

Nc1ccc(C#Cc2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.49
CDK8 P49336 4/20 0.44
AXL P30530 1/20 0.44
APP P05067 2/20 0.44
PIK3CA P42336 3/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
KDR P35968 2/20 0.41
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41
HCK P08631 1/20 0.41
SRC P12931 1/20 0.41
MTOR P42345 1/20 0.41
EPHB4 P54760 1/20 0.41
PRKDC P78527 1/20 0.41
ULK1 O75385 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.40
BRAF P15056 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL1329244 0.84 CDK8 (0.58) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL1328036 0.84 CDK8 (0.44) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL17761629 0.82 RIPK1 (0.49) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL12324076 0.81 SNCA (0.51) RIPK1CDK8AXLAPPPIK3CA
SCHEMBL1328238 0.81 FGFR1 (0.53) RIPK1CDK8AXLAPPPIK3CA
SCHEMBL1329950 0.80 GFER (0.62) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL2036914 0.77 RIPK1 (0.40) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL297592 0.76 RIPK1 (0.47) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL29543783 0.76 RIPK1 (0.47) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL20593955 0.76 MAP3K20 (0.59) RIPK1CDK8AXLPIK3CAPIK3CD

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
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
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 RIPK1 417/4885CDK8 239/4885AXL 383/4885

“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.