SCHEMBL2076630

SCHEMBL2076630

O=C1Nc2ccc(C(F)(F)F)cc2C1c1nc(NCCc2cccnc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDE9A O76083 4/20 0.33
OGA O60502 1/20 0.33
PIK3CA P42336 2/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTK2 Q05397 1/20 0.31
PTK2B Q14289 1/20 0.31
JAK1 P23458 1/20 0.30
HTR6 P50406 1/20 0.30
SGK1 O00141 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
RAF1 P04049 1/20 0.30
SRC P12931 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
SCHEMBL2076623 0.94 PDE9A (0.38) PDE9APTK2PTK2BSCD
SCHEMBL2077002 0.90 PIK3CA (0.34) PDE9AOGAPIK3CAJAK1GSK3B
SCHEMBL2078562 0.90 PDE9A (0.34) PDE9AOGAPIK3CAPTK2JAK1
SCHEMBL2077830 0.89 GSK3B (0.39) PDE9AOGAPIK3CAPTK2JAK1
SCHEMBL13007216 0.88 PDE9A (0.33) PDE9AOGAPIK3CAJAK1GSK3B
SCHEMBL2076367 0.88 MAPK8 (0.36) PDE9AOGAPIK3CAPTK2JAK1
SCHEMBL3767477 0.87 KMT2A (0.34) MEN1KMT2APDE9A
SCHEMBL2078234 0.87 OGA (0.32) MEN1KMT2AOGAPIK3CAKCNH2
SCHEMBL2077683 0.86 PDE9A (0.38) MEN1KMT2APDE9A
Hydrochloric Acid SCHEMBL2078367 0.86 KMT2A (0.34) MEN1KMT2APDE9A

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 MEN1 3848/4885KMT2A 3404/4885PDE9A 2783/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 MEN1 3595/4885KMT2A 3587/4885PDE9A 1977/4885

“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.