SCHEMBL4979639

SCHEMBL4979639

Cc1ccccc1/C=C/C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 1/20 0.40
PTPN11 Q06124 1/20 0.40
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 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
HSP90AB1 P08238 5/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GPR183 P32249 1/20 0.38
APP P05067 1/20 0.38
GBA1 P04062 1/20 0.36
HSP90AA1 P07900 1/20 0.36
AR P10275 1/20 0.36
OGA O60502 1/20 0.36
HRH4 Q9H3N8 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
SCHEMBL4979645 1.00 KDM2B (0.40) KDM2BPTPN11TLR4TLR9TLR8
SCHEMBL4976234 0.90 TLR4 (0.40) KDM2BTLR4TLR9TLR8TLR7
SCHEMBL4976225 0.90 TLR4 (0.40) KDM2BTLR4TLR9TLR8TLR7
SCHEMBL4976144 0.90 HSP90AB1 (0.42) PTPN11TLR4TLR9TLR8TLR7
SCHEMBL4974712 0.90 MAPT (0.47) KDM2BPTPN11TLR4TLR9TLR8
SCHEMBL4979899 0.90 PTPN11 (0.40) KDM2BPTPN11TLR4TLR9TLR8
SCHEMBL4976155 0.90 HSP90AB1 (0.42) PTPN11TLR4TLR9TLR8TLR7
SCHEMBL4979891 0.90 PTPN11 (0.40) KDM2BPTPN11TLR4TLR9TLR8
SCHEMBL4974732 0.90 MAPT (0.47) KDM2BPTPN11TLR4TLR9TLR8
SCHEMBL4974875 0.89 HPGD (0.51) PTPN11MAPTHSP90AB1

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 KDM2B 1937/4885PTPN11 4015/4885TLR4 721/4885

“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.