SCHEMBL4980394

SCHEMBL4980394

COc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.55
KDM4E B2RXH2 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HSP90AB1 P08238 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A7 Q99884 1/20 0.48
HRH3 Q9Y5N1 5/20 0.47
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL4976292 0.91 HPGD (0.48) KDM2BKDM4EHSP90AB1MEN1KMT2A
SCHEMBL4980322 0.91 PKM (0.55) KDM2BKDM4EHSP90AB1HRH3HPGD
SCHEMBL4977984 0.90 HSP90AB1 (0.47) KDM2BKDM4ETDP1HSP90AB1HRH3
SCHEMBL4979058 0.90 KDM2B (0.53) KDM2BHSP90AB1MEN1KMT2ASLC6A7
SCHEMBL4981523 0.89 HPGD (0.50) KDM2BHSP90AB1MEN1KMT2AHRH3
SCHEMBL4978516 0.89 HSP90AB1 (0.46) KDM2BHSP90AB1MEN1KMT2AHRH3
SCHEMBL4976742 0.89 KDM2B (0.57) KDM2BKDM4EHSP90AB1MEN1KMT2A
SCHEMBL4976026 0.89 HRH3 (0.54) KDM2BKDM4ETDP1HSP90AB1SLC6A7
SCHEMBL4980664 0.88 KDM4E (0.55) KDM4EHSP90AB1HPGD
SCHEMBL4976783 0.88 HSP90AB1 (0.49) KDM2BKDM4EHSP90AB1HRH3KCNH2

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 KDM2B 1937/4885KDM4E 1865/4885TDP1 899/4885

“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.