SCHEMBL2076741

SCHEMBL2076741

N#Cc1ccc2c(c1)C(c1ncnc3nn(C4CCCCC4)cc13)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CSF1R P07333 1/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 1/20 0.42
FLT1 P17948 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL2075089 0.99 RET (0.43) RETAURKADAPK3PRKD3MAP4K4
SCHEMBL2076995 0.92 CHEK1 (0.48) RETAURKADAPK3PRKD3MAP4K4
SCHEMBL2075646 0.86 PDE9A (0.37) ABL1BCRALDH1A1MAPT
SCHEMBL2075663 0.86 ABL1 (0.39) ABL1BCRKDM4EALDH1A1
SCHEMBL2078024 0.86 ABL1 (0.37) ABL1BCRALDH1A1MAPT
SCHEMBL2075634 0.85 AURKA (0.47) RETAURKADAPK3PRKD3MAP4K4
SCHEMBL3771477 0.85 PDE9A (0.36) ABL1BCR
SCHEMBL2077500 0.85 ABL1 (0.38) ABL1BCRKDM4EALDH1A1
SCHEMBL3769842 0.85 ABL1 (0.36) ABL1BCRALDH1A1MAPT
SCHEMBL2075455 0.85 AURKA (0.44) RETAURKADAPK3PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN 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
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
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
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 RET 1684/4885AURKA 2229/4885DAPK3 2670/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 RET 1567/4885AURKA 2280/4885DAPK3 2487/4885

“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.