SCHEMBL2078768

SCHEMBL2078768

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
FLT1 P17948 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45
MAP2K2 P36507 1/20 0.45
FLT3 P36888 1/20 0.45
MAPK8 P45983 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CLK2 P49760 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CDK7 P50613 1/20 0.45

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
SCHEMBL2075572 0.90 AURKA (0.40) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2075634 0.86 AURKA (0.47) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2076639 0.85 AURKA (0.38) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2075455 0.83 AURKA (0.44) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2078676 0.82 AURKA (0.43) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2077975 0.81 ALK (0.42) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2077391 0.81 AURKA (0.42) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2078229 0.81 AURKA (0.39) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2078344 0.81 ALK (0.36) AURKADAPK3PRKD3MAP4K4CSF1R
SCHEMBL2078814 0.81 ALK (0.41) AURKADAPK3PRKD3MAP4K4CSF1R

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 AURKA 2229/4885DAPK3 2670/4885PRKD3 1455/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 AURKA 2280/4885DAPK3 2487/4885PRKD3 1209/4885

“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.