SCHEMBL4978724

SCHEMBL4978724

O=C(C=Cc1cccc2ccccc12)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
PTPN11 Q06124 1/20 0.39
ACHE P22303 1/20 0.39
HSP90AB1 P08238 3/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
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 2/20 0.36
HCRTR2 O43614 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR6 P50406 1/20 0.35

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
SCHEMBL4978716 1.00 KDM4E (0.46) KDM4ENPC1RAB9APTPN11ACHE
SCHEMBL4979639 0.89 KDM2B (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4974712 0.89 MAPT (0.47) PTPN11HSP90AB1ALDH1A1TLR4TLR9
SCHEMBL4976155 0.89 HSP90AB1 (0.42) PTPN11HSP90AB1ALDH1A1TLR4TLR9
SCHEMBL4979899 0.89 PTPN11 (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4979891 0.89 PTPN11 (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4976144 0.89 HSP90AB1 (0.42) PTPN11HSP90AB1ALDH1A1TLR4TLR9
SCHEMBL4974732 0.89 MAPT (0.47) PTPN11HSP90AB1ALDH1A1TLR4TLR9
SCHEMBL4979645 0.89 KDM2B (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4976999 0.87 HSP90AB1 (0.41) PTPN11HSP90AB1ALDH1A1KMT2ATLR4

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 KDM4E 1865/4885NPC1 4289/4885RAB9A 2216/4885

“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.