SCHEMBL2076738

SCHEMBL2076738

CN(C)CCCNc1nc(C2C(=O)Nc3ccc(Cl)cc32)c2cn(C3CCCC3)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.35
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 6/20 0.33
EHMT2 Q96KQ7 6/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FERMT2 Q96AC1 1/20 0.32
RCOR1 Q9UKL0 5/20 0.32
CCR4 P51679 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CAMK2D Q13557 1/20 0.31
MAPK14 Q16539 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
SCHEMBL2077472 0.95 PDE9A (0.35) PDE9AESR1ESR2MAPK14
SCHEMBL2075721 0.91 EHMT2 (0.33) KDM1AEHMT2MEN1KMT2ARCOR1
SCHEMBL2078229 0.89 AURKA (0.39) KDM1AEHMT2MEN1KMT2ARCOR1
SCHEMBL13007364 0.88 PDE9A (0.35) PDE9ATSHREHMT2MAPK14
SCHEMBL2078452 0.86 PDE9A (0.35) PDE9ATSHR
SCHEMBL2078117 0.86 NQO2 (0.34)
SCHEMBL2077826 0.86 PDE9A (0.39) PDE9A
SCHEMBL2078591 0.86 MAPT (0.38) KDM1AEHMT2RCOR1
SCHEMBL2075684 0.85 PDE9A (0.39) PDE9A
SCHEMBL2302147 0.85 PDE9A (0.39) PDE9A

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 8 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
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 2783/4885CYP1A2 450/4885TSHR 1212/4885
US-20070281949-A1 Substituted pyrazolopyrimidines DPYD, P2RX5, P2RX6 PDE9A 1977/4885CYP1A2 285/4885TSHR 1331/4885

“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.