SCHEMBL4978438

SCHEMBL4978438

Cc1nc(C)c(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGLEC9 Q9Y336 1/20 0.40
HSP90AA1 P07900 6/20 0.40
MAPT P10636 1/20 0.39
HSP90AB1 P08238 6/20 0.38
PDE2A O00408 1/20 0.38
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4977801 0.86 POLB (0.49) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4978440 0.84 LMNA (0.42) SIGLEC9HSP90AA1MAPTHSP90AB1TLR4
SCHEMBL4978631 0.84 NPC1 (0.41) HSP90AB1TLR4TLR9TLR8TLR7
SCHEMBL4974919 0.83 ALDH1A1 (0.58) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4979058 0.82 KDM2B (0.53) HSP90AA1HSP90AB1
SCHEMBL4977211 0.82 POLB (0.48) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4978462 0.82 HSP90AB1 (0.44) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4979609 0.81 HSP90AB1 (0.44) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4978441 0.81 HSP90AA1 (0.45) HSP90AA1MAPTHSP90AB1TLR4TLR9
SCHEMBL4980539 0.81 HSP90AB1 (0.48) HSP90AA1MAPTHSP90AB1TLR4TLR9

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-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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 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-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES HRH3, HRH4, HRH2 SIGLEC9 3314/4885HSP90AA1 2689/4885MAPT 2301/4885

“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.