SCHEMBL2077830

SCHEMBL2077830

O=C1Nc2ccccc2C1c1nc(NCCc2cccnc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 2/20 0.36
OGA O60502 1/20 0.36
PDE9A O76083 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
FPR1 P21462 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
JAK1 P23458 1/20 0.33
TYRO3 Q06418 1/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
LMNA P02545 1/20 0.33
SIRT2 Q8IXJ6 2/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH1A3 P47895 1/20 0.32
MKNK1 Q9BUB5 2/20 0.32
MKNK2 Q9HBH9 2/20 0.32

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 0.93 PDE9A (0.42) GSK3BALDH1A1PDE9ASMN1; SMN2FPR1
SCHEMBL2078562 0.90 PDE9A (0.34) GSK3BOGAPDE9AJAK1JAK2
SCHEMBL2077002 0.90 PIK3CA (0.34) GSK3BOGAPDE9AJAK1MKNK1
SCHEMBL2076630 0.89 MEN1 (0.35) GSK3BOGAPDE9AJAK1PTK2
SCHEMBL2076367 0.89 MAPK8 (0.36) GSK3BOGAPDE9AJAK1TYRO3
SCHEMBL13007216 0.89 PDE9A (0.33) GSK3BOGAPDE9AJAK1PIK3CA
SCHEMBL2079328 0.86 OGA (0.36) ALDH1A1OGAPDE9ASMN1; SMN2CYP1A2
SCHEMBL2076362 0.86 PDE9A (0.33) GSK3BALDH1A1PDE9AMKNK1ADORA3
SCHEMBL2076804 0.82 JAK1 (0.34) ALDH1A1PDE9AJAK1TYRO3PIK3CA
SCHEMBL2078257 0.81 PDE9A (0.38) GSK3BALDH1A1PDE9ASMN1; SMN2FPR1

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 GSK3B 939/4885ALDH1A1 1266/4885OGA 3670/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 GSK3B 789/4885ALDH1A1 813/4885OGA 4047/4885

“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.