SCHEMBL4979726

SCHEMBL4979726

COc1cc(OC)c(OC)cc1C=CC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
NFE2L2 Q16236 1/20 0.37
HSP90AA1 P07900 3/20 0.37

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
SCHEMBL4979716 1.00 HSP90AB1 (0.42) HSP90AB1MAPTMEN1KMT2AATM
SCHEMBL4976711 0.93 HSP90AB1 (0.41) HSP90AB1MAPTMEN1KMT2AATM
SCHEMBL4976722 0.93 HSP90AB1 (0.41) HSP90AB1MAPTMEN1KMT2AATM
SCHEMBL4976337 0.90 HSP90AB1 (0.51) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4978489 0.90 HSP90AB1 (0.51) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4976348 0.90 HSP90AB1 (0.51) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4978474 0.90 HSP90AB1 (0.51) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4976322 0.90 HSP90AB1 (0.43) HSP90AB1MAPTTLR4TLR9TLR8
SCHEMBL4976338 0.90 HSP90AB1 (0.43) HSP90AB1MAPTTLR4TLR9TLR8
SCHEMBL4974875 0.89 HPGD (0.51) HSP90AB1MAPTNFE2L2

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 2 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

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 2652/4885MAPT 2301/4885MEN1 4419/4885

“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.