SCHEMBL4979847

SCHEMBL4979847

CSc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.48
HRH3 Q9Y5N1 3/20 0.43
L3MBTL3 Q96JM7 7/20 0.42
L3MBTL1 Q9Y468 5/20 0.42
KDM2B Q8NHM5 3/20 0.41
HSP90AA1 P07900 3/20 0.40
MBTD1 Q05BQ5 2/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
TLR4 O00206 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4976638 0.90 HSP90AB1 (0.47) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4979058 0.90 KDM2B (0.53) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4977103 0.88 HSP90AB1 (0.63) HSP90AB1HRH3L3MBTL3L3MBTL1KDM4E
SCHEMBL4978554 0.88 HSP90AB1 (0.63) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4978632 0.88 HSP90AB1 (0.51) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4976359 0.88 HSP90AB1 (0.52) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4977942 0.88 KDM4E (0.53) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4978065 0.87 GBA1 (0.50) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4978303 0.87 HSP90AB1 (0.48) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B
SCHEMBL4977835 0.87 HSP90AB1 (0.51) HSP90AB1HRH3L3MBTL3L3MBTL1KDM2B

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 2652/4885HRH3 1/4885L3MBTL3 2564/4885

“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.