SCHEMBL4977938

SCHEMBL4977938

COc1c(Cl)cc(Cl)c(OC)c1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.42
HSP90AA1 P07900 6/20 0.40
MAPT P10636 2/20 0.39
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
LRRK2 Q5S007 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM2B Q8NHM5 1/20 0.36

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
SCHEMBL4976083 0.90 HSP90AB1 (0.45) HSP90AB1HSP90AA1MAPTLRRK2HRH3
SCHEMBL4974914 0.85 MEN1 (0.50) HSP90AB1HSP90AA1MAPTHRH3NPC1
SCHEMBL4980550 0.85 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAPTTLR4TLR9
SCHEMBL4979696 0.85 KDM4E (0.52) HSP90AB1MAPTLRRK2
SCHEMBL4975077 0.85 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAPTLRRK2KDM2B
SCHEMBL4978645 0.84 HSP90AB1 (0.46) HSP90AB1HSP90AA1MAPTLRRK2
SCHEMBL4978008 0.84 HSP90AB1 (0.47) HSP90AB1LRRK2HRH3NPC1RAB9A
SCHEMBL4976968 0.83 HSP90AB1 (0.49) HSP90AB1HSP90AA1MAPT
SCHEMBL4980322 0.83 PKM (0.55) HSP90AB1HSP90AA1HRH3KDM2B
SCHEMBL4975235 0.83 HSP90AB1 (0.43) HSP90AB1HSP90AA1MAPTLRRK2HRH3

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 HSP90AB1 2652/4885HSP90AA1 2689/4885MAPT 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.