SCHEMBL15064845

SCHEMBL15064845

CCn1nc(-c2ccc(Oc3nc4ccccc4[nH]3)nc2)c2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 2/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TNNI3 P19429 1/20 0.35
CRHBP P24387 1/20 0.35
CASP1 P29466 1/20 0.35
TNNT2 P45379 1/20 0.35
CASP7 P55210 1/20 0.35
TNNC1 P63316 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TLR9 Q9NR96 1/20 0.35

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
SCHEMBL570637 0.87 LTA4H (0.44) PDE10ANPC1RAB9APKMKDM4E
SCHEMBL15064667 0.78 FYN (0.37)
SCHEMBL15085746 0.78 HDAC1 (0.39) PDE10ARAB9AKDM4EMAPK1MEN1
SCHEMBL10285531 0.78 LTA4H (0.44) PDE10ANPC1RAB9AMAPK1TDP1
SCHEMBL10285475 0.77 PDE10A (0.37) PDE10AKDM4EMAPK1MEN1USP2
SCHEMBL569849 0.75 EGLN1 (0.43) PDE10ANPC1RAB9AKDM4EMAPK1
SCHEMBL15435843 0.75 LTA4H (0.47) PDE10ANPC1RAB9APKMKDM4E
SCHEMBL571100 0.74 PDE10A (0.49) PDE10A
SCHEMBL15064431 0.74 AURKA (0.38) NPC1RAB9APKMKDM4EMAPK1
SCHEMBL10285532 0.73 KDM4E (0.38) PDE10ANPC1RAB9AKDM4EMAPK1

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 7 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

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 1/4885NPC1 3068/4885RAB9A 64/4885

“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.