SCHEMBL15064696

SCHEMBL15064696

Cn1c(Oc2ccc(-c3nn(C4=CC=C4)c4cccnc34)cc2)nc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
DRD1 P21728 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL15065236 0.85 NAMPT (0.40) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL10285695 0.81 MEN1 (0.40) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL15064701 0.81 PDE1A (0.39) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL569350 0.78 HDAC1 (0.37) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL15064694 0.78 BTK (0.38) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL569659 0.76 MEN1 (0.43) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL569696 0.75 ALDH1A1 (0.40) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL15064532 0.74 USP2 (0.36) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL15064775 0.72 HDAC1 (0.37) PDE10AHDAC1HDAC6HDAC5MAOB
SCHEMBL15065028 0.72 PDE1A (0.39) PDE10AHDAC1HDAC6HDAC5MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
US-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US disclosed
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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 (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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PDE10A 1/4885HDAC1 73/4885HDAC6 271/4885

“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.