SCHEMBL15064484

SCHEMBL15064484

CCn1nc(-c2ccc(Oc3nc4ccccc4n3C)cc2)c2ncccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.43
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CRHBP P24387 2/20 0.40
MAPK1 P28482 2/20 0.40
CASP1 P29466 2/20 0.40
CASP7 P55210 2/20 0.40
KMT2A Q03164 2/20 0.40
CRHR2 Q13324 2/20 0.40
USP2 O75604 1/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.40

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 0.91 MEN1 (0.40) PDE10AKDM4EMEN1CRHBPMAPK1
SCHEMBL16704935 0.87 PDE10A (0.44) PDE10AKDM4EPDE4APDE4BHTT
SCHEMBL570442 0.87 PDE10A (0.40) PDE10AKDM4EMEN1CRHBPMAPK1
SCHEMBL12473845 0.84 POLB (0.42) PDE10AKDM4EMEN1KMT2AHPGD
SCHEMBL570115 0.84 KDM4E (0.38) PDE10AKDM4EMEN1CRHBPMAPK1
SCHEMBL570302 0.82 ALDH1A1 (0.40) KDM4EMEN1CRHBPMAPK1CASP1
SCHEMBL15064353 0.82 KDM4E (0.37) PDE10AKDM4EMEN1CRHBPMAPK1
SCHEMBL569586 0.81 KDM4E (0.50) KDM4EMEN1MAPK1KMT2AMAPT
SCHEMBL569659 0.81 MEN1 (0.43) PDE10AKDM4EMEN1CRHBPMAPK1
SCHEMBL15064532 0.81 USP2 (0.36) PDE10AKDM4EMEN1CRHBPMAPK1

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 PDE10A 1/4885KDM4E 1619/4885MEN1 2688/4885

“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.