SCHEMBL4979568

SCHEMBL4979568

Cc1ccc(Oc2ncccc2C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 6/20 0.49
MAPT P10636 1/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
HSP90AA1 P07900 5/20 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
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GBA1 P04062 1/20 0.38
KDM2B Q8NHM5 1/20 0.37

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
SCHEMBL4980707 0.87 HSP90AB1 (0.51) HSP90AB1MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL4979010 0.86 HSP90AB1 (0.45) HSP90AB1MAPTHCRTR1HCRTR2
SCHEMBL4975414 0.86 HSP90AB1 (0.46) HSP90AB1HCRTR1HCRTR2HSP90AA1TLR4
SCHEMBL4980440 0.85 KDM4E (0.49) HSP90AB1MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL4980588 0.84 HSP90AB1 (0.45) HSP90AB1MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL4979003 0.84 HSP90AB1 (0.45) HSP90AB1MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL4978059 0.84 HSP90AA1 (0.47) HSP90AB1HCRTR1HCRTR2HSP90AA1TLR4
SCHEMBL4980539 0.84 HSP90AB1 (0.48) HSP90AB1MAPTHCRTR1HCRTR2HSP90AA1
SCHEMBL14273428 0.84 HSP90AB1 (0.50) HSP90AB1MAPTHCRTR1HCRTR2
SCHEMBL4980666 0.84 SMN1; SMN2 (0.51) HSP90AB1TLR4TLR9TLR8TLR7

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 2652/4885MAPT 2301/4885HCRTR1 198/4885

“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.