SCHEMBL4980193

SCHEMBL4980193

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN11 Q06124 1/20 0.44
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
HPGD P15428 1/20 0.41
AR P10275 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AB1 P08238 2/20 0.40

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
SCHEMBL4980178 1.00 MEN1 (0.44) MEN1KMT2APTPN11GAAL3MBTL1
SCHEMBL4975313 0.95 PTPN11 (0.41) MEN1KMT2APTPN11GAAL3MBTL1
SCHEMBL4975304 0.95 PTPN11 (0.41) MEN1KMT2APTPN11GAAL3MBTL1
SCHEMBL14346864 0.92 HSP90AB1 (0.42) PTPN11GAAL3MBTL1MAPTRAB9A
SCHEMBL4976525 0.91 HSP90AB1 (0.47) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL4974626 0.91 MAPT (0.52) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL4976529 0.91 HSP90AB1 (0.47) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL4980006 0.91 MAPT (0.46) GAAPOLBMAPTRAB9ANPC1
SCHEMBL4974630 0.91 MAPT (0.52) MEN1KMT2AGAAL3MBTL1MAPT
SCHEMBL4980014 0.91 MAPT (0.46) GAAPOLBMAPTRAB9ANPC1

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 MEN1 4419/4885KMT2A 1417/4885PTPN11 4015/4885

“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.