SCHEMBL4980274

SCHEMBL4980274

Cc1ccc(-c2ccccc2CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PTPN11 Q06124 1/20 0.38
KDM2B Q8NHM5 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
ACHE P22303 1/20 0.36
HSP90AB1 P08238 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 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
SCHEMBL4973587 0.88 LMNA (0.48) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL4978406 0.86 POLB (0.47) TLR4TLR9TLR8TLR7MAPT
SCHEMBL4978128 0.85 DGAT1 (0.46) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL4980033 0.85 MAPT (0.48) MAPTTP53KDM4EALDH1A1PTPN11
SCHEMBL4974618 0.85 HSP90AB1 (0.43) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL4976253 0.84 KDM4E (0.48) MAPTLMNAPOLBKDM4EALDH1A1
SCHEMBL4978643 0.84 ACHE (0.49) MAPTLMNAKDM4EALDH1A1PTPN11
SCHEMBL4976925 0.84 LMNA (0.51) MAPTLMNAKDM4EALDH1A1HSP90AB1
SCHEMBL4974974 0.83 KDM4E (0.42) MAPTLMNATP53KDM4EALDH1A1
SCHEMBL4980557 0.83 KDM4E (0.49) MAPTLMNAPOLBKDM4EALDH1A1

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 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.