SCHEMBL569659

SCHEMBL569659

CCn1nc(-c2ccc(Oc3nc4cccnc4n3C)cc2)c2nccnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
CRHBP P24387 3/20 0.43
CRHR2 Q13324 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
MAPK1 P28482 2/20 0.43
USP2 O75604 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43
ATM Q13315 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
TLR9 Q9NR96 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL15064532 0.84 USP2 (0.36) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL15064775 0.83 HDAC1 (0.37) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL15065236 0.82 NAMPT (0.40) MEN1KMT2ACASP1CASP7MAPK1
SCHEMBL569350 0.81 HDAC1 (0.37) MEN1KMT2AHDAC1HDAC6HDAC5
SCHEMBL15064484 0.81 PDE10A (0.43) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL570302 0.79 ALDH1A1 (0.40) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL15064701 0.78 PDE1A (0.39) HDAC1HDAC6HDAC5LMNAMAOB
SCHEMBL15085746 0.78 HDAC1 (0.39) MEN1KMT2ACRHBPCRHR2CASP1
SCHEMBL570552 0.78 PDE1A (0.35) MEN1KMT2ACRHBPCRHR2CASP1

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 10 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

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 MEN1 2688/4885KMT2A 780/4885CRHBP 786/4885

“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.