SCHEMBL1329244

SCHEMBL1329244

C(#Cc1cnc2[nH]ccc2c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 4/20 0.58
AXL P30530 2/20 0.58
GRM5 P41594 6/20 0.49
RIPK1 Q13546 2/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
MAP3K20 Q9NYL2 1/20 0.44
BRAF P15056 1/20 0.44
CYP2D6 P10635 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GLO1 Q04760 1/20 0.42
NUDT1 P36639 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL1328372 0.84 RIPK1 (0.49) CDK8AXLRIPK1PIK3CDPIK3CA
SCHEMBL1328036 0.83 CDK8 (0.44) CDK8AXLRIPK1PDGFRBPDGFRA
SCHEMBL1329950 0.82 GFER (0.62) CDK8AXLRIPK1PIK3CDPIK3CA
SCHEMBL20593955 0.81 MAP3K20 (0.59) CDK8AXLRIPK1PDGFRBPDGFRA
SCHEMBL17761629 0.81 RIPK1 (0.49) CDK8AXLRIPK1PDGFRBPDGFRA
SCHEMBL1328238 0.80 FGFR1 (0.53) CDK8AXLRIPK1PDGFRBPDGFRA
SCHEMBL12324076 0.80 SNCA (0.51) CDK8AXLRIPK1PIK3CDPIK3CA
SCHEMBL1327769 0.79 ULK1 (0.44) CDK8AXLRIPK1PIK3CDPIK3CA
SCHEMBL29543783 0.79 RIPK1 (0.47) CDK8AXLRIPK1PDGFRBPDGFRA
SCHEMBL297592 0.79 RIPK1 (0.47) CDK8AXLRIPK1PDGFRBPDGFRA

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 6 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
WO-2009094123-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-07-30 WO 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 CDK8 239/4885AXL 383/4885GRM5 3751/4885

“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.