SCHEMBL4978632

SCHEMBL4978632

Nc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.51
L3MBTL3 Q96JM7 10/20 0.44
L3MBTL1 Q9Y468 8/20 0.44
PTPN11 Q06124 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MBTD1 Q05BQ5 4/20 0.42
TP53BP1 Q12888 1/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
KDM4E B2RXH2 1/20 0.41
KDM2B Q8NHM5 2/20 0.41

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
SCHEMBL14346848 0.90 HSP90AB1 (0.47) HSP90AB1L3MBTL3L3MBTL1PTPN11HRH3
SCHEMBL4977103 0.90 HSP90AB1 (0.63) HSP90AB1L3MBTL3L3MBTL1HRH3KDM4E
SCHEMBL4978554 0.90 HSP90AB1 (0.63) HSP90AB1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL4979058 0.90 KDM2B (0.53) HSP90AB1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL4977942 0.90 KDM4E (0.53) HSP90AB1L3MBTL3L3MBTL1HRH3MBTD1
SCHEMBL4976359 0.90 HSP90AB1 (0.52) HSP90AB1L3MBTL3L3MBTL1PTPN11HRH3
SCHEMBL4977835 0.90 HSP90AB1 (0.51) HSP90AB1L3MBTL3L3MBTL1HRH3KDM2B
SCHEMBL14346635 0.90 HSP90AB1 (0.46) HSP90AB1L3MBTL3L3MBTL1PTPN11HRH3
SCHEMBL4996485 0.89 HSP90AB1 (0.52) HSP90AB1L3MBTL1PTPN11HRH3KDM4E
SCHEMBL4977010 0.88 HSP90AB1 (0.51) HSP90AB1L3MBTL3L3MBTL1HRH3KDM4E

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 2652/4885L3MBTL3 2564/4885L3MBTL1 2549/4885

“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.