SCHEMBL4979825

SCHEMBL4979825

Fc1ccc(CN2CCc3nc(N4CCN(C5CCC5)CC4)ncc3C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.73
LMNA P02545 6/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 6/20 0.58
TP53 P04637 2/20 0.58
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL4979105 0.93 HSP90AB1 (0.62) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4975134 0.90 LMNA (0.76) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4981551 0.90 HSP90AB1 (0.61) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4978638 0.89 LMNA (0.59) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4980313 0.89 HSP90AB1 (0.60) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4974739 0.87 LMNA (0.60) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL14346583 0.86 LMNA (0.58) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4976885 0.85 LMNA (0.57) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4976228 0.85 LMNA (0.60) HSP90AB1LMNAPOLBMAPTTP53
SCHEMBL4974757 0.84 HSP90AB1 (0.57) HSP90AB1LMNAPOLBMAPTTP53

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 HSP90AB1 2652/4885LMNA 4534/4885POLB 1658/4885

“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.