SCHEMBL2076607

SCHEMBL2076607

CN(C)CCN1CCN(c2nc(C3C(=O)Nc4ccc(Cl)cc43)c3cn(C4CCCC4)nc3n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.37
BRD4 O60885 12/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
CAMK2D Q13557 1/20 0.35
IRAK1 P51617 1/20 0.34
NTRK1 P04629 1/20 0.33
PDE9A O76083 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL2076942 0.85 PDE9A (0.34) NTRK1PDE9A
SCHEMBL2075705 0.84 PDE9A (0.35) PDE9A
SCHEMBL2077472 0.82 PDE9A (0.35) MAPK14PDE9A
SCHEMBL2076738 0.81 PDE9A (0.35) MAPK14CAMK2DPDE9A
SCHEMBL2077521 0.80 PDE9A (0.40) PDE9A
SCHEMBL2077873 0.80 AURKA (0.39)
SCHEMBL2079229 0.79 ALK (0.40)
SCHEMBL2075684 0.78 PDE9A (0.39) PDE9A
SCHEMBL2077374 0.77 PSEN1 (0.36) PDE9A
SCHEMBL2078591 0.77 MAPT (0.38)

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 MAPK14 4250/4885BRD4 1480/4885BRD2 1342/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 MAPK14 3757/4885BRD4 1508/4885BRD2 1881/4885

“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.