SCHEMBL2076760

SCHEMBL2076760

O=C1Nc2ccccc2C1c1nc(NCc2cccnc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.42
ALDH1A1 P00352 4/20 0.41
GSK3B P49841 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FPR1 P21462 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR2 P34972 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TSHR P16473 1/20 0.35
MERTK Q12866 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2077830 0.93 GSK3B (0.39) PDE9AALDH1A1GSK3BSMN1; SMN2FPR1
SCHEMBL2076362 0.91 PDE9A (0.33) PDE9AALDH1A1GSK3B
SCHEMBL2076623 0.88 PDE9A (0.38) PDE9AALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL2078257 0.88 PDE9A (0.38) PDE9AALDH1A1GSK3BSMN1; SMN2FPR1
SCHEMBL2077002 0.83 PIK3CA (0.34) PDE9AGSK3B
SCHEMBL2078562 0.83 PDE9A (0.34) PDE9AGSK3BCNR2GPR55JAK2
SCHEMBL2076976 0.83 OPRM1 (0.34) PDE9A
SCHEMBL2078595 0.83 PDE9A (0.36) PDE9AALDH1A1
SCHEMBL2078521 0.83 PDE9A (0.36) PDE9AALDH1A1KDM4E
SCHEMBL13007216 0.82 PDE9A (0.33) PDE9AGSK3B

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 2783/4885ALDH1A1 1266/4885GSK3B 939/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885ALDH1A1 813/4885GSK3B 789/4885

“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.