SCHEMBL2301396

SCHEMBL2301396

Cc1ccc2c(c1)C(c1ncnc3c1cnn3C1CCCC1)C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 10/20 0.41
SLC2A1 P11166 1/20 0.38
SLC2A2 P11168 1/20 0.38
SLC2A3 P11169 1/20 0.38
TP53 P04637 5/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL14206876 0.91 PDE9A (0.41) PDE9ASLC2A1SLC2A2SLC2A3TP53
SCHEMBL12428936 0.89 PDE9A (0.40) PDE9ASLC2A1SLC2A2SLC2A3PDE1C
SCHEMBL2077068 0.88 PDE9A (0.40) PDE9ASLC2A1SLC2A2SLC2A3TP53
SCHEMBL2075485 0.88 PDE9A (0.51) PDE9ATP53LMNAGRM1
SCHEMBL2075470 0.88 PDE9A (0.40) PDE9ASLC2A1SLC2A2SLC2A3PDE1C
SCHEMBL2075106 0.87 PDE9A (0.41) PDE9ASLC2A1SLC2A2SLC2A3GRM1
SCHEMBL12427745 0.87 PDE9A (0.41) PDE9ASLC2A1SLC2A2SLC2A3GRM1
SCHEMBL2077452 0.87 PDE9A (0.52) PDE9ATP53LMNAGRM1ABL1
SCHEMBL2078601 0.87 PDE9A (0.41) PDE9ASLC2A1SLC2A2SLC2A3TP53
SCHEMBL2078497 0.86 PDE9A (0.48) PDE9ASLC2A1SLC2A2SLC2A3TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2351751-A1 Substituted pyrazolopyrimidines CEPHALON, INC. (US) 2011-08-03 EP 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 (1 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-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885SLC2A1 1605/4885SLC2A2 1922/4885

“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.