SCHEMBL570552

SCHEMBL570552

CCn1nc(-c2ccc(Oc3nc4cccnc4n3C)cn2)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
LMNA P02545 3/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
MEN1 O00255 3/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
RAB9A P51151 2/20 0.32
MAOB P27338 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL10285695 0.87 MEN1 (0.40) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL570298 0.85 PDE1A (0.37) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL15085746 0.81 HDAC1 (0.39) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL15064532 0.79 USP2 (0.36) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL15064484 0.78 PDE10A (0.43) PDE1APDE1BPDE1CLMNAMEN1
SCHEMBL570444 0.78 LMNA (0.39) LMNAHDAC1HDAC6HDAC5MEN1
SCHEMBL569659 0.78 MEN1 (0.43) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL15064775 0.78 HDAC1 (0.37) PDE1APDE1BPDE1CLMNAHDAC1
SCHEMBL15064613 0.77 HDAC1 (0.38) PDE1APDE1BPDE1CHDAC1HDAC6
SCHEMBL569350 0.76 HDAC1 (0.37) LMNAHDAC1HDAC6HDAC5MEN1

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-2601192-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICALS CO (JP) 2017-03-01 EP disclosed
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-9029536-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-12 US 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
US-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-04 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 PDE1A 15/4885PDE1B 14/4885PDE1C 46/4885

“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.