SCHEMBL570637

SCHEMBL570637

CCn1nc(-c2ccc(Oc3nc4ccccc4[nH]3)cc2)c2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.44
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
TNNI3 P19429 1/20 0.39
CRHBP P24387 1/20 0.39
CASP1 P29466 1/20 0.39
TNNT2 P45379 1/20 0.39
CASP7 P55210 1/20 0.39
TNNC1 P63316 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CRHR2 Q13324 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 2/20 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
SCHEMBL10285531 0.90 LTA4H (0.44) LTA4HMAPK1TDP1PDE10ANPC1
SCHEMBL10285475 0.89 PDE10A (0.37) LTA4HKDM4EMAPK1MEN1USP2
SCHEMBL15064845 0.87 PDE10A (0.37) LTA4HKDM4EMAPK1MEN1USP2
SCHEMBL15435843 0.85 LTA4H (0.47) LTA4HKDM4EMAPK1PDE10ANPC1
SCHEMBL15064484 0.80 PDE10A (0.43) KDM4EMAPK1MEN1USP2TNNI3
SCHEMBL570750 0.79 PTGS2 (0.40) LTA4HKDM4EMAPK1MEN1USP2
SCHEMBL571100 0.78 PDE10A (0.49) PDE10A
SCHEMBL570261 0.78 MEN1 (0.44) KDM4EMAPK1MEN1USP2TNNI3
SCHEMBL10285695 0.77 MEN1 (0.40) KDM4EMAPK1MEN1USP2TNNI3
SCHEMBL15064431 0.76 AURKA (0.38) KDM4EMAPK1MEN1USP2TNNI3

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 LTA4H 2742/4885KDM4E 1619/4885MAPK1 1583/4885

“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.