SCHEMBL4978489

SCHEMBL4978489

COc1ccc(OC)c(C=CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.51
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JUN P05412 1/20 0.41
NFKB1 P19838 1/20 0.41
KDM2B Q8NHM5 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
PTGS2 P35354 2/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS1 P23219 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

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
SCHEMBL4978474 1.00 HSP90AB1 (0.51) HSP90AB1MAPTALDH1A1SMN1; SMN2JUN
SCHEMBL4976348 0.94 HSP90AB1 (0.51) HSP90AB1MAPTALDH1A1SMN1; SMN2KDM2B
SCHEMBL4976337 0.94 HSP90AB1 (0.51) HSP90AB1MAPTALDH1A1SMN1; SMN2KDM2B
SCHEMBL4976338 0.92 HSP90AB1 (0.43) HSP90AB1MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL4976322 0.92 HSP90AB1 (0.43) HSP90AB1MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL4979716 0.90 HSP90AB1 (0.42) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4979726 0.90 HSP90AB1 (0.42) HSP90AB1MAPTMEN1KMT2ATLR4
SCHEMBL4974875 0.90 HPGD (0.51) HSP90AB1MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL4974888 0.90 HPGD (0.51) HSP90AB1MAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL4978895 0.88 HSP90AB1 (0.42) HSP90AB1MAPTALDH1A1SMN1; SMN2HPGD

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 1 patent. 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

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 2301/4885ALDH1A1 1142/4885

“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.