SCHEMBL460818

SCHEMBL460818

Cc1nn(C)c2c(=O)[nH]cnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 1/20 0.54
PRKD3 O94806 1/20 0.54
PIM1 P11309 1/20 0.54
PDGFRA P16234 1/20 0.54
PRKACA P17612 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CDK8 P49336 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
CDK5 Q00535 1/20 0.54
MAP2K1 Q02750 1/20 0.54
PRKCQ Q04759 1/20 0.54
DYRK1A Q13627 1/20 0.54
PIM3 Q86V86 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
BRD4 O60885 2/20 0.47
PDPK1 O15530 2/20 0.45
PDE5A O76074 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL17164025 0.81 BRD4 (0.42) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL20187574 0.81 BRD4 (0.42) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL13395606 0.79 DAPK3 (0.40) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL4903819 0.78 HPGD (0.47) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL20187962 0.77 HTT (0.43) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL31132800 0.77 BRD4 (0.40) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL1149887 0.76 PDE5A (0.52) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL31133071 0.73 HPGD (0.40) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL17292789 0.71 DAPK3 (0.54) DAPK3PRKD3PIM1PDGFRAPRKACA
SCHEMBL4199915 0.70 PIM3 (1.00) DAPK3PRKD3PIM1PDGFRAPRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11162104-B2 SCN9A antisense pain killer OLIPASS CORPORATION (KR) 2021-11-02 US disclosed
US-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2019-11-14 US disclosed
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES OLIPASS CORPORATION (KR) 2019-11-07 US disclosed
WO-2018069764-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2018-04-19 WO disclosed
US-9642854-B2 Flavanoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-05-09 US disclosed
US-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2015-06-25 US disclosed
US-8969384-B2 Flavonoid compounds and process for preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-03-03 US disclosed
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-01-26 US disclosed
WO-2010097816-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
US-7371860-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2008-05-13 US disclosed
EP-1881988-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LTD. (GB) 2008-01-30 EP disclosed
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 EP disclosed
US-7211668-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2007-05-01 US disclosed
US-7179896-B2 Method of making PNA oligomers PANAGENE, INC. (KR) 2007-02-20 US disclosed
WO-2006122200-A1 2,3-SUBSTITUTED FUSED BICYCLIC PYRIMIDIN-4(3H)-ONES MODULATING THE FUNCTION OF THE VANILLOID-1 RECEPTOR (VR1) MERCK SHARP & DOHME LIMITED (GB) 2006-11-16 WO disclosed
EP-0201188-A2 5-Substituted pyrazolo[4,3-d] pyrimidine-7-ones, process for preparing the compounds and pharmaceutical compositions comprising the compounds WARNER-LAMBERT COMPANY (US) 1986-12-17 EP disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 US disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 US disclosed
US-3939161-A ANTIINFLAMMATORY, ANTISECRETORY ABBOTT LABORATORIES (US) 1976-02-17 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 (6 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-20150174135-A1 FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF F2, FOXM1, HRH2 DAPK3 4403/4885PRKD3 2446/4885PIM1 4058/4885
US-20120022062-A1 Flavanoid Compounds and Process for Preparation Thereof F2, FOXM1, HRH2 DAPK3 4403/4885PRKD3 2446/4885PIM1 4058/4885
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 DAPK3 1484/4885PRKD3 1307/4885PIM1 3771/4885
US-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES AR, NR5A1, NR5A2 DAPK3 1589/4885PRKD3 1335/4885PIM1 4491/4885
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES PTBP1, RBM17, UPF1 DAPK3 2513/4885PRKD3 3791/4885PIM1 3581/4885
US-11162104-B2 SCN9A antisense pain killer SCN9A, SCN7A, SCN8A DAPK3 1651/4885PRKD3 1210/4885PIM1 3859/4885

“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.