SCHEMBL4979899

SCHEMBL4979899

O=C(C=Cc1ccccc1Br)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.40
HSP90AB1 P08238 6/20 0.38
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 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 3/20 0.37
HSD11B1 P28845 1/20 0.35
HSP90AA1 P07900 3/20 0.35
OGA O60502 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4979891 1.00 PTPN11 (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4976155 0.90 HSP90AB1 (0.42) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4979645 0.90 KDM2B (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4976144 0.90 HSP90AB1 (0.42) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4974732 0.90 MAPT (0.47) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4974712 0.90 MAPT (0.47) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4979639 0.90 KDM2B (0.40) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4978724 0.89 KDM4E (0.46) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4978716 0.89 KDM4E (0.46) PTPN11HSP90AB1TLR4TLR9TLR8
SCHEMBL4980178 0.88 MEN1 (0.44) PTPN11HSP90AB1MAPTL3MBTL1

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 PTPN11 4015/4885HSP90AB1 2652/4885TLR4 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.