SCHEMBL4978255

SCHEMBL4978255

c1cncc(CN2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 4/20 0.53
HSP90AB1 P08238 3/20 0.48
MAPT P10636 6/20 0.48
TP53 P04637 2/20 0.48
CASP1 P29466 1/20 0.47
CASP4 P49662 1/20 0.47
CASP5 P51878 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
LMNA P02545 5/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4974757 0.93 HSP90AB1 (0.57) TRPV6HSP90AB1MAPTTP53LMNA
SCHEMBL4978720 0.90 LMNA (0.53) TRPV6HSP90AB1MAPTTP53LMNA
SCHEMBL4980665 0.85 HSP90AB1 (0.51) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4978929 0.85 MAPT (0.51) TRPV6HSP90AB1MAPTTP53LMNA
SCHEMBL4979105 0.84 HSP90AB1 (0.62) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4978686 0.84 LMNA (0.64) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4977885 0.83 LMNA (0.48) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4980324 0.83 LMNA (0.50) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4981551 0.83 HSP90AB1 (0.61) HSP90AB1MAPTTP53LMNAPOLB
SCHEMBL4976429 0.82 HSP90AB1 (0.44) HSP90AB1MAPTTP53LMNAPOLB

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 4 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
US-20080051387-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION 2008-02-28 US disclosed
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 TRPV6 998/4885HSP90AB1 2652/4885MAPT 2301/4885

“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.