SCHEMBL2076362

SCHEMBL2076362

O=C1Nc2ccccc2C1c1nc(NCc2ccncc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 5/20 0.33
KCNH3 Q9ULD8 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ROCK1 Q13464 1/20 0.31
GSK3B P49841 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2076760 0.91 PDE9A (0.42) PDE9AGSK3BALDH1A1
SCHEMBL2077224 0.89 NQO2 (0.31) MKNK1ALDH1A1
SCHEMBL2078803 0.86 LRRK2 (0.39) ROCK1GSK3BALDH1A1
SCHEMBL2077683 0.86 PDE9A (0.38) PDE9A
SCHEMBL2077830 0.86 GSK3B (0.39) PDE9AMKNK1ADORA3GSK3BALDH1A1
SCHEMBL2078595 0.85 PDE9A (0.36) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2076976 0.85 OPRM1 (0.34) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2078521 0.85 PDE9A (0.36) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL2079328 0.84 OGA (0.36) PDE9AALDH1A1
SCHEMBL2078235 0.83 PDE9A (0.38) PDE9APDE4APDE4BPDE4CPDE4D

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 8 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
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 PDE9A 2783/4885KCNH3 1991/4885MKNK1 3788/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885KCNH3 1340/4885MKNK1 3088/4885

“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.