SCHEMBL4980322

SCHEMBL4980322

COc1cc(OC)cc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HSP90AB1 P08238 4/20 0.47
KDM2B Q8NHM5 2/20 0.45
HRH3 Q9Y5N1 1/20 0.42
HSP90AA1 P07900 3/20 0.42
PDGFRB P09619 1/20 0.42
HPGD P15428 1/20 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
SCHEMBL4976742 0.91 KDM2B (0.57) PKMKDM4EALDH1A1L3MBTL1HSP90AB1
SCHEMBL4980394 0.91 KDM2B (0.55) PKMKDM4EHSP90AB1KDM2BHRH3
SCHEMBL4979696 0.89 KDM4E (0.52) PKMKDM4EALDH1A1HSP90AB1PDGFRB
SCHEMBL4978462 0.88 HSP90AB1 (0.44) KDM4EHSP90AB1KDM2BHRH3HSP90AA1
SCHEMBL4975235 0.87 HSP90AB1 (0.43) PKMKDM4EALDH1A1L3MBTL1HSP90AB1
SCHEMBL4980664 0.86 KDM4E (0.55) KDM4EALDH1A1L3MBTL1HSP90AB1HPGD
SCHEMBL4977998 0.86 HSP90AB1 (0.44) PKMKDM4EALDH1A1HSP90AB1KDM2B
SCHEMBL4980365 0.86 HSP90AB1 (0.48) KDM4EALDH1A1L3MBTL1HSP90AB1KDM2B
SCHEMBL4981391 0.86 HSP90AB1 (0.51) KDM4EALDH1A1L3MBTL1HSP90AB1KDM2B
SCHEMBL4978532 0.85 HSP90AB1 (0.68) HSP90AB1KDM2BHRH3HSP90AA1

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 PKM 1604/4885KDM4E 1865/4885ALDH1A1 1142/4885

“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.