SCHEMBL4976225

SCHEMBL4976225

Cc1ccc(C)c(/C=C/C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HSP90AA1 P07900 5/20 0.39
HSP90AB1 P08238 5/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
OGA O60502 1/20 0.37
KDM2B Q8NHM5 3/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4976234 1.00 TLR4 (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979639 0.90 KDM2B (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979645 0.90 KDM2B (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4980006 0.88 MAPT (0.46) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4980014 0.88 MAPT (0.46) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4980613 0.87 L3MBTL1 (0.42) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4980622 0.87 L3MBTL1 (0.42) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4978059 0.84 HSP90AA1 (0.47) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979716 0.83 HSP90AB1 (0.42) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979726 0.83 HSP90AB1 (0.42) TLR4TLR9TLR8TLR7HSP90AA1

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 TLR4 721/4885TLR9 653/4885TLR8 2196/4885

“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.