SCHEMBL4978447

SCHEMBL4978447

O=C(C=Cc1cc2c(cc1Br)OCO2)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAOB P27338 2/20 0.34
HSP90AA1 P07900 6/20 0.34
OGA O60502 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
HSP90AB1 P08238 4/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
PTPN11 Q06124 1/20 0.32

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
SCHEMBL4978444 1.00 TLR4 (0.35) TLR4TLR9TLR8TLR7MAOB
SCHEMBL4980746 0.86 MAOB (0.52) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL4980737 0.86 MAOB (0.52) MAOBMEN1KMT2ANPC1RAB9A
SCHEMBL4979891 0.86 PTPN11 (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979899 0.86 PTPN11 (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4976711 0.86 HSP90AB1 (0.41) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4976722 0.86 HSP90AB1 (0.41) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4979639 0.81 KDM2B (0.40) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4974712 0.81 MAPT (0.47) TLR4TLR9TLR8TLR7HSP90AA1
SCHEMBL4974732 0.81 MAPT (0.47) 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 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 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.