SCHEMBL2077088

SCHEMBL2077088

O=C1Nc2cc(F)ccc2C1c1ncnc2c1cnn2C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
TP53 P04637 3/20 0.38
PDE9A O76083 13/20 0.38
SLC2A1 P11166 1/20 0.37
SLC2A2 P11168 1/20 0.37
SLC2A3 P11169 1/20 0.37
PLK4 O00444 1/20 0.37
BTK Q06187 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 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
SCHEMBL2077112 0.99 ABL1 (0.38) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL2078601 0.92 PDE9A (0.41) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL2077068 0.91 PDE9A (0.40) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL14206876 0.89 PDE9A (0.41) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL2303691 0.88 PDE9A (0.43) ABL1BCRPDE9ASLC2A1SLC2A2
SCHEMBL2076325 0.87 PDE9A (0.45) TP53PDE9ALMNAMAPT
SCHEMBL13007162 0.86 PDE9A (0.36) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL2075109 0.86 CHEK1 (0.47) ABL1BCRPDE9ASLC2A1SLC2A2
SCHEMBL2078497 0.85 PDE9A (0.48) ABL1BCRTP53PDE9ASLC2A1
SCHEMBL2075444 0.85 CHEK1 (0.48) ABL1BCRPDE9ASLC2A1SLC2A2

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
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
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
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
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 ABL1 2806/4885BCR 3149/4885TP53 2119/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 ABL1 2258/4885BCR 3103/4885TP53 2194/4885

“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.