SCHEMBL2077072

SCHEMBL2077072

N#Cc1ccc2c(c1)C(c1nc(NCCN3CCOCC3)nc3nn(C4CCCC4)cc13)C(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
CLK4 Q9HAZ1 3/20 0.36
LRRK2 Q5S007 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
MAPK8 P45983 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CLK2 P49760 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
SCHEMBL2075392 0.96 CHEK1 (0.45) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2078153 0.94 AURKA (0.38) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2076245 0.92 AURKA (0.36) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2078177 0.90 CHEK1 (0.38) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2077253 0.86 AURKA (0.39) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2078814 0.86 ALK (0.41) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2078591 0.86 MAPT (0.38) CHEK1FGFR1FLT3GSK3AGSK3B
SCHEMBL2076318 0.85 AURKA (0.38) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2076470 0.85 AURKA (0.38) CHEK1CLK4LRRK2AURKADAPK3
SCHEMBL2078129 0.84 TYRO3 (0.37) CLK4LRRK2AURKADAPK3PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-7851468-B2 Substituted pyrazolo[3,4-d]pyrimidines CEPHALON, INC. (US) 2010-12-14 US 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
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 CHEK1 1661/4885CLK4 2341/4885LRRK2 298/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 CHEK1 2277/4885CLK4 1993/4885LRRK2 260/4885

“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.