SCHEMBL5485527

SCHEMBL5485527

COc1cc(-c2nnc3n2CCCN3Cc2noc(-c3cccc(Cl)c3)n2)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMPD1 P17405 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
TP53 P04637 1/20 0.36
KCNH2 Q12809 1/20 0.35
GRM5 P41594 1/20 0.35
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5485393 0.89 USP30 (0.43) MAPTTSHRNPC1SMN1; SMN2MEN1
SCHEMBL4338428 0.85 MAPT (0.44) MAPTTSHRNPC1SMN1; SMN2MEN1
SCHEMBL1544442 0.83 KCNH2 (0.47) MAPTTSHRNPC1SMN1; SMN2L3MBTL1
SCHEMBL5478892 0.82 MAPT (0.40) MAPTTSHRNPC1SMN1; SMN2MEN1
SCHEMBL4336808 0.82 MAPT (0.38) MAPTTSHRNPC1SMN1; SMN2SMPD1
SCHEMBL5482293 0.81 P2RX7 (0.40) MAPTTSHRNPC1SMN1; SMN2TP53
SCHEMBL4232705 0.81 MAPT (0.41) MAPTNPC1SMPD1L3MBTL1TP53
SCHEMBL4327916 0.81 KCNH2 (0.47) MAPTTSHRNPC1SMN1; SMN2L3MBTL1
SCHEMBL4333880 0.81 MAPT (0.36) MAPTTSHRNPC1SMN1; SMN2MEN1
SCHEMBL5484553 0.79 GRM5 (0.51) MAPTNPC1SMPD1L3MBTL1PSEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 MAPT 711/4885TSHR 1183/4885NPC1 934/4885

“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.