SCHEMBL10166769

SCHEMBL10166769

Nc1n[nH]c(N)c1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
AKT2 P31751 2/20 0.66
KMT2A Q03164 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.59
RPS6KA3 P51812 1/20 0.56
CDK5 Q00535 4/20 0.50
DYRK1A Q13627 3/20 0.50
CSF1R P07333 2/20 0.50
CDK2 P24941 2/20 0.50
KDR P35968 2/20 0.50
CLK4 Q9HAZ1 2/20 0.50
RPS6KA5 O75582 1/20 0.50
CDK1 P06493 1/20 0.50
PRKACA P17612 1/20 0.50
FLT4 P35916 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
PKN2 Q16513 1/20 0.50

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
SCHEMBL5820038 0.81 MAPK1 (1.00) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL19926065 0.81 GSK3A (0.57) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL1278851 0.79 MAPK1 (0.48) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL1057636 0.79 AKT2 (0.66) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL544723 0.79 AKT2 (1.00) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL12464662 0.79 RPS6KA3 (0.49) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL13516075 0.79 IKBKB (0.68) MAPK1NPSR1AKT2KMT2ARPS6KA3
SCHEMBL20931277 0.75 MAPK1 (0.44) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL20836964 0.75 GSK3B (0.47) MAPK1NPSR1AKT2KMT2AL3MBTL1
SCHEMBL18704445 0.75 MAPK1 (0.44) MAPK1NPSR1AKT2KMT2AL3MBTL1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10953012-B2 Heterocyclic compounds for the inhibition of pask BIOENERGENIX LLC (US) 2021-03-23 US disclosed
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof ADURO BIOTECH INC. (US) 2020-08-11 US disclosed
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF CHINOOK THERAPEUTICS, INC. 2019-04-25 US disclosed
WO-2019055750-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF Aduro Biotech, Inc. (US) 2019-03-21 WO disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-8603917-B2 Method of processing a wafer AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2013-12-10 US disclosed
US-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2012-11-01 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20110046066-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2011-02-24 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
US-20100256115-A1 INHIBITORS OF IAP COHEN FREDERICK 2010-10-07 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (7 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-20120277224-A1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK PASK, PDXK, PANK2 MAPK1 574/4885NPSR1 971/4885AKT2 405/4885
US-10738056-B2 Pyrazolopyrimidinone compounds and uses thereof NLRP3, NLRP1, P2RX7 MAPK1 2166/4885NPSR1 1546/4885AKT2 3244/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 MAPK1 3051/4885NPSR1 3542/4885AKT2 2270/4885
US-20110046066-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 MAPK1 2743/4885NPSR1 4040/4885AKT2 2155/4885
US-20100256115-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 MAPK1 3051/4885NPSR1 3542/4885AKT2 2270/4885
US-20190119285-A1 PYRAZOLOPYRIMIDINONE COMPOUNDS AND USES THEREOF NLRP3, NLRP1, P2RX7 MAPK1 2166/4885NPSR1 1546/4885AKT2 3244/4885
US-10953012-B2 Heterocyclic compounds for the inhibition of pask PASK, PDXK, PANK2 MAPK1 574/4885NPSR1 971/4885AKT2 405/4885

“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.