SCHEMBL4976199

SCHEMBL4976199

COc1ccc(OC)c(CN2CCc3c(ncnc3N3CCN(C4CCC4)CC3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.47
TLR7 Q9NYK1 3/20 0.43
TLR9 Q9NR96 2/20 0.43
GAA P10253 2/20 0.43
PDE2A O00408 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TACR1 P25103 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
SCHEMBL4974936 0.94 HSP90AB1 (0.45) HSP90AB1TLR7TLR9GAAPDE2A
SCHEMBL14273308 0.93 KDM4E (0.46) HSP90AB1TLR7TLR9GAAPDE2A
SCHEMBL4979732 0.88 KMT2A (0.45) TLR7TLR9BCHE
SCHEMBL4980339 0.87 KDM4E (0.48) TLR7TLR9GAAPDE2AMAPT
SCHEMBL4978233 0.84 KDM4E (0.43) TLR7TLR9MAPTKDM4ETSHR
SCHEMBL4976167 0.82 KMT2A (0.46) TLR7TLR9BCHE
SCHEMBL4980341 0.80 TLR7 (0.41) TLR7TLR9MAPTTSHR
SCHEMBL4978391 0.79 KDM4E (0.43) PDE2AKDM4E
SCHEMBL4973623 0.78 TLR7 (0.41) TLR7TLR9TSHR
SCHEMBL4978287 0.78 HSP90AB1 (0.76) HSP90AB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 HSP90AB1 2652/4885TLR7 799/4885TLR9 653/4885

“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.