SCHEMBL4975304

SCHEMBL4975304

O=C(/C=C/c1ccc(-c2ccccc2)cc1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
HRH3 Q9Y5N1 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
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AB1 P08238 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL4975313 1.00 PTPN11 (0.41) PTPN11MAPTGAAHRH3TLR4
SCHEMBL4980178 0.95 MEN1 (0.44) PTPN11MAPTGAAMEN1KMT2A
SCHEMBL4980193 0.95 MEN1 (0.44) PTPN11MAPTGAAMEN1KMT2A
SCHEMBL14346864 0.90 HSP90AB1 (0.42) PTPN11MAPTGAATLR4TLR9
SCHEMBL4976525 0.90 HSP90AB1 (0.47) MAPTGAAHRH3MEN1KMT2A
SCHEMBL4974626 0.90 MAPT (0.52) MAPTGAAHRH3MEN1KMT2A
SCHEMBL4980006 0.90 MAPT (0.46) MAPTGAATLR4TLR9TLR8
SCHEMBL4974630 0.90 MAPT (0.52) MAPTGAAHRH3MEN1KMT2A
SCHEMBL4976529 0.90 HSP90AB1 (0.47) MAPTGAAHRH3MEN1KMT2A
SCHEMBL4980014 0.90 MAPT (0.46) MAPTGAATLR4TLR9TLR8

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 PTPN11 4015/4885MAPT 2301/4885GAA 2670/4885

“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.