SCHEMBL2076725

SCHEMBL2076725

CCCCCn1cc2c(C3C(=O)Nc4ccc(C(F)(F)F)cc43)nc(NCCCN)nc2n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ADORA3 P0DMS8 5/20 0.32
ADORA2A P29274 3/20 0.32
ADORA1 P30542 2/20 0.32
ADORA2B P29275 1/20 0.32
SIK1 P57059 1/20 0.31
SIK2 Q9H0K1 1/20 0.31
SIK3 Q9Y2K2 1/20 0.31
MPO P05164 1/20 0.31
KCNH2 Q12809 1/20 0.31
KDR P35968 5/20 0.30
TLR8 Q9NR97 2/20 0.30
BCDIN3D Q7Z5W3 1/20 0.30
SYK P43405 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
SCHEMBL2076372 0.96 BCDIN3D (0.33) CNR1CNR2ADORA3ADORA2AADORA1
SCHEMBL2077928 0.89 RAB9A (0.38)
SCHEMBL2078312 0.85 TLR8 (0.35) CNR1CNR2ADORA3ADORA2AADORA1
SCHEMBL2075562 0.83 USP2 (0.35)
SCHEMBL3762462 0.82 KMT2A (0.33) SYK
Hydrochloric Acid SCHEMBL2077008 0.82 KMT2A (0.33) SYK
SCHEMBL12428971 0.80 KDR (0.36) ADORA3ADORA2AADORA1ADORA2BKDR
SCHEMBL2075420 0.79 USP2 (0.35) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL3767477 0.78 KMT2A (0.34) MPOBCDIN3D
SCHEMBL14206417 0.78 KDR (0.33) ADORA3KDR

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 16 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
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
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-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-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
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
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 CNR1 73/4885CNR2 115/4885ADORA3 28/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 CNR1 133/4885CNR2 182/4885ADORA3 103/4885

“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.