SCHEMBL2076367

SCHEMBL2076367

N#Cc1ccc2c(c1)C(c1nc(NCCc3cccnc3)nc3nn(C4CCCC4)cc13)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.36
RPS6KA3 P51812 2/20 0.36
GSK3B P49841 2/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 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
SCHEMBL2078257 0.94 PDE9A (0.38) MAPK8RPS6KA3GSK3BAURKADAPK3
SCHEMBL2078129 0.92 TYRO3 (0.37) MAPK8RPS6KA3GSK3BAURKADAPK3
SCHEMBL2077002 0.90 PIK3CA (0.34) GSK3BGSK3APDE9AOGAPIK3CA
SCHEMBL2078562 0.90 PDE9A (0.34) GSK3BFGFR1KDRPTK2PDE9A
SCHEMBL2077830 0.89 GSK3B (0.39) GSK3BPTK2TYRO3PDE9AOGA
SCHEMBL2077660 0.88 LRRK2 (0.39) MAPK8RPS6KA3GSK3BAURKADAPK3
SCHEMBL2076630 0.88 MEN1 (0.35) MAPK8RPS6KA3GSK3BPTK2PDE9A
SCHEMBL13007216 0.88 PDE9A (0.33) GSK3BPDE9AOGAPIK3CAJAK1
SCHEMBL2077477 0.87 PTK2 (0.38) MAPK8RPS6KA3GSK3BAURKADAPK3
SCHEMBL2078803 0.86 LRRK2 (0.39) MAPK8RPS6KA3GSK3BAURKADAPK3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN claimed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP claimed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US claimed
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
EP-2024360-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON INC (US) 2013-04-03 EP disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
US-8354414-B2 Substituted bicyclic pyrimidines CEPHALON, INC (US) 2013-01-15 US disclosed
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES CEPHALON, INC. (US) 2011-03-03 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
US-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US disclosed
CN-101448822-A Substituted pyrazolopyrimidines KYOCERA CORP (US) 2009-06-03 CN disclosed
EP-2024360-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES Cephalon, Inc. (US) 2009-02-18 EP disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
WO-2008063232-A2 SUBSTITUTED PYRAZOLOPYRIMIDINES CEPHALON, INC. (US) 2008-05-29 WO disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 US disclosed
US-20070281949-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2007-12-06 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 (2 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-20110053920-A1 SUBSTITUTED BICYCLIC PYRIMIDINES DPYD, P2RX5, P2RX7 MAPK8 4067/4885RPS6KA3 1496/4885GSK3B 939/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 MAPK8 3830/4885RPS6KA3 1256/4885GSK3B 789/4885

“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.