SCHEMBL4976299

SCHEMBL4976299

Cc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.48
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 6/20 0.44
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.42
KDM2B Q8NHM5 2/20 0.41
TLR4 O00206 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL4978537 0.93 HSP90AB1 (0.52) HSP90AB1ALDH1A1HPGDHSP90AA1HRH3
SCHEMBL4976713 0.92 HSP90AB1 (0.49) HSP90AB1HSP90AA1HRH3KDM2BTLR4
SCHEMBL4974646 0.92 HSP90AB1 (0.47) HSP90AB1HSP90AA1HRH3KDM2BTLR4
SCHEMBL4978900 0.92 HPGD (0.47) HSP90AB1HPGDHSP90AA1HRH3TSHR
SCHEMBL4979058 0.90 KDM2B (0.53) HSP90AB1HSP90AA1HRH3KDM2BL3MBTL3
SCHEMBL4975997 0.88 KDM2B (0.55) HSP90AB1ALDH1A1HPGDKDM2BL3MBTL3
SCHEMBL4978462 0.88 HSP90AB1 (0.44) HSP90AB1HPGDHSP90AA1HRH3KDM2B
SCHEMBL4976987 0.87 HSP90AB1 (0.51) HSP90AB1HPGDHRH3KDM2BL3MBTL3
SCHEMBL4974931 0.87 HSP90AB1 (0.48) HSP90AB1ALDH1A1HPGDHSP90AA1HRH3
SCHEMBL4978075 0.87 HSP90AB1 (0.51) HSP90AB1HSP90AA1HRH3KDM2BL3MBTL3

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 2652/4885ALDH1A1 1142/4885TP53 1765/4885

“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.