SCHEMBL2078562

SCHEMBL2078562

O=C1Nc2ccc(Br)cc2C1c1nc(NCCc2cccnc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.34
OGA O60502 1/20 0.34
INSR P06213 1/20 0.33
IGF1R P08069 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 3/20 0.33
KRAS P01116 1/20 0.32
CNR2 P34972 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
TBXAS1 P24557 1/20 0.32
PTAFR P25105 1/20 0.32
JAK1 P23458 1/20 0.31
GSK3B P49841 2/20 0.31
PTGFR P43088 1/20 0.31
JAK2 O60674 1/20 0.31
PTK2 Q05397 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 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
SCHEMBL2077002 0.91 PIK3CA (0.34) PDE9AOGAPIK3CATBXAS1PTAFR
SCHEMBL2077830 0.90 GSK3B (0.39) PDE9AOGAPIK3CACNR2GPR55
SCHEMBL2076630 0.90 MEN1 (0.35) PDE9AOGAPIK3CAJAK1GSK3B
SCHEMBL2076367 0.90 MAPK8 (0.36) PDE9AOGAFGFR1KDRPIK3CA
SCHEMBL13007216 0.90 PDE9A (0.33) PDE9AOGAPIK3CAJAK1GSK3B
SCHEMBL2076585 0.88 INSR (0.36) OGAINSRIGF1RFGFR1KDR
SCHEMBL2077224 0.86 NQO2 (0.31) IGF1R
SCHEMBL3767222 0.85 NQO2 (0.35)
SCHEMBL2076980 0.85 IGF1R (0.35) OGAINSRIGF1RFGFR1KDR
Hydrochloric Acid SCHEMBL2076435 0.84 NQO2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448822-B Substituted pyrazolopyrimidines CEPHALON INC 2013-11-06 CN claimed
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
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
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
CN-101448822-A Substituted pyrazolopyrimidines KYOCERA CORP (US) 2009-06-03 CN 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 2783/4885OGA 3670/4885INSR 299/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885OGA 4047/4885INSR 330/4885

“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.