SCHEMBL4976381

SCHEMBL4976381

Clc1ccc(CN2CCc3nc(N4CCN(C5CCC5)CC4)ncc3C2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
TP53 P04637 4/20 0.59
HSP90AB1 P08238 5/20 0.56
LMNA P02545 6/20 0.52
POLB P06746 1/20 0.49
DHFR P00374 1/20 0.48

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
SCHEMBL4976958 0.94 MAPT (0.50) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4980399 0.89 MAPT (0.75) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4981551 0.82 HSP90AB1 (0.61) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4979044 0.82 MAPT (0.64) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4973632 0.81 MAPT (0.60) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4975134 0.81 LMNA (0.76) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4979825 0.81 HSP90AB1 (0.73) MAPTTP53HSP90AB1LMNAPOLB
SCHEMBL4980630 0.80 HSP90AB1 (0.66) MAPTTP53HSP90AB1LMNA
SCHEMBL4976666 0.80 ERCC1 (0.46) HSP90AB1
SCHEMBL4974739 0.80 LMNA (0.60) MAPTTP53HSP90AB1LMNAPOLB

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 3 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

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 MAPT 2301/4885TP53 1765/4885HSP90AB1 2652/4885

“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.