SCHEMBL4979649

SCHEMBL4979649

c1nc(N2CCN(C3CCC3)CC2)nc2c1CCN(C1CCOCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR4 O00206 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 3/20 0.39
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
PTPN11 Q06124 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
MAP3K12 Q12852 1/20 0.36
CYP1A2 P05177 1/20 0.36
CLK4 Q9HAZ1 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
SCHEMBL4979788 0.92 TLR4 (0.45) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4977104 0.88 HSP90AB1 (0.41) POLBTLR4TLR9TLR8TLR7
SCHEMBL4980361 0.85 MAPT (0.45) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4976873 0.84 MAPT (0.39) POLBTLR4TLR9TLR8TLR7
SCHEMBL4976921 0.83 HSP90AA1 (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4071219 0.82 POLB (0.54) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL14297478 0.82 TLR4 (0.44) POLBSMN1; SMN2TLR4TLR9TLR8
SCHEMBL4978066 0.82 LMNA (0.52) POLBTLR4TLR9TLR8TLR7
SCHEMBL4976953 0.82 LMNA (0.52) POLBTLR4TLR9TLR8TLR7
SCHEMBL4979794 0.81 TLR4 (0.39) POLBSMN1; SMN2TLR4TLR9TLR8

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 3 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

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 CYP11B2 2875/4885POLB 1658/4885SMN1; SMN2 3880/4885

“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.