SCHEMBL2076623

SCHEMBL2076623

O=C1Nc2ccc(C(F)(F)F)cc2C1c1nc(NCc2cccnc2)nc2nn(C3CCCC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 4/20 0.38
PTK2 Q05397 1/20 0.36
PTK2B Q14289 1/20 0.36
VNN1 O95497 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
SCD O00767 1/20 0.34
CNR2 P34972 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SORT1 Q99523 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDR P35968 1/20 0.32

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
SCHEMBL2076630 0.94 MEN1 (0.35) PDE9APTK2PTK2BSCD
SCHEMBL2077683 0.91 PDE9A (0.38) PDE9AVNN1GAAKDR
SCHEMBL2076760 0.88 PDE9A (0.42) PDE9APTK2VNN1KDM4EHSD17B10
SCHEMBL2078257 0.87 PDE9A (0.38) PDE9APTK2VNN1HSD17B10ALDH1A1
SCHEMBL3767477 0.86 KMT2A (0.34) PDE9A
Hydrochloric Acid SCHEMBL2078367 0.85 KMT2A (0.34) PDE9A
SCHEMBL2076085 0.85 KMT2A (0.37) PDE9AALDH1A1GAA
SCHEMBL2075490 0.84 KMT2A (0.33) PDE9A
SCHEMBL2076097 0.84 KMT2A (0.33) PDE9A
SCHEMBL3762462 0.84 KMT2A (0.33) 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 2783/4885PTK2 3545/4885PTK2B 1260/4885

“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.