SCHEMBL570261

SCHEMBL570261

CCn1nc(-c2ccc(-c3nn(CC)c4cccnc34)cc2)c2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CRHBP P24387 2/20 0.44
MAPK1 P28482 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
CRHR2 Q13324 2/20 0.44
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
TLR9 Q9NR96 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAMPT P43490 3/20 0.41
MAPK14 Q16539 1/20 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
SCHEMBL570067 0.93 ESR1 (0.42) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL15065058 0.90 MEN1 (0.40) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL571142 0.86 TBXAS1 (0.37) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL570750 0.84 PTGS2 (0.40) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL15064667 0.84 FYN (0.37) PDE1APDE1BPDE1CTBXAS1
SCHEMBL10285532 0.81 KDM4E (0.38) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL12473774 0.81 KDM4E (0.32) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL570539 0.80 LTA4H (0.38) PDE10A
SCHEMBL12473757 0.80 PDE10A (0.36) MEN1KMT2ACRHBPMAPK1CASP1
SCHEMBL23529924 0.79 PDE1A (0.50) L3MBTL1MAPK14PDE1APDE1BPDE1C

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 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.