SCHEMBL570742

SCHEMBL570742

C[Si](C)(C)CCOCn1c(Oc2ccc(-c3c4n(c5cccnc35)CCC4)cc2)nc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
TGFBR1 P36897 2/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 3/20 0.33
TLR9 Q9NR96 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL15064938 0.82 PDE4A (0.41) PDE4ATGFBR1THRBMAPK14
SCHEMBL15064353 0.76 KDM4E (0.37) DRD2DRD3KDM4EALDH1A1SMN1; SMN2
SCHEMBL23123437 0.76 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL9980956 0.74 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL570812 0.73 PDE4A (0.44) PDE4ATGFBR1MAPTTHRBMAPK14
SCHEMBL570451 0.73 LTA4H (0.50) PDE4ATGFBR1DRD2DRD3
SCHEMBL14889062 0.72 KDM4E (0.39) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL1701129 0.72 GABRP (0.44) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL1704471 0.71 PDE10A (0.37) KDM4EALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL1701147 0.69 PGR (0.38) KDM4EALDH1A1SMN1; SMN2NPC1TP53

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 5 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
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
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 PDE4A 9/4885TGFBR1 358/4885DRD2 302/4885

“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.