SCHEMBL570442

SCHEMBL570442

CCn1nc(-c2ccc(Oc3nc4ccccc4n3CCO)cc2)c2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.40
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TNNI3 P19429 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
TNNT2 P45379 1/20 0.37
CASP7 P55210 1/20 0.37
TNNC1 P63316 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
CRHR2 Q13324 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL15064484 0.87 PDE10A (0.43) PDE10AKDM4EALDH1A1LMNAGAA
SCHEMBL570115 0.87 KDM4E (0.38) PDE10AKDM4EALDH1A1LMNAGAA
SCHEMBL12473845 0.87 POLB (0.42) PDE10AKDM4EALDH1A1MEN1KMT2A
SCHEMBL569586 0.85 KDM4E (0.50) KDM4EALDH1A1TSHRMEN1MAPK1
SCHEMBL15064353 0.84 KDM4E (0.37) PDE10AKDM4EALDH1A1LMNAGAA
SCHEMBL10285695 0.82 MEN1 (0.40) PDE10AKDM4ELMNATSHRMEN1
SCHEMBL570302 0.82 ALDH1A1 (0.40) KDM4EALDH1A1LMNATSHRNPSR1
SCHEMBL570861 0.80 KDM4E (0.36) PDE10AKDM4ELMNANPSR1MEN1
SCHEMBL570749 0.78 MEN1 (0.36) PDE10AKDM4ELMNATSHRNPSR1
SCHEMBL569886 0.77 EGFR (0.35) PDE10AKDM4EALDH1A1LMNAGAA

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 11 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
EP-2601192-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2013-06-12 EP disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 WO disclosed
WO-2012018909-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-09 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-20130172292-A1 FUSED HETEROCYCLIC COMPOUNDS PDE10A, PDE3A, PDE2A PDE10A 1/4885KDM4E 1619/4885ALDH1A1 270/4885

“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.