SCHEMBL4979696

SCHEMBL4979696

COc1cc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.47
HSP90AB1 P08238 3/20 0.46
MAPT P10636 2/20 0.45
PDGFRB P09619 3/20 0.45
KDR P35968 1/20 0.45
POLB P06746 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PKM P14618 1/20 0.42

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
SCHEMBL4980664 0.90 KDM4E (0.55) KDM4EALDH1A1HTTGAAHSP90AB1
SCHEMBL4980322 0.89 PKM (0.55) KDM4EALDH1A1HSP90AB1PDGFRBPKM
SCHEMBL4975954 0.88 SMN1; SMN2 (0.50) KDM4EALDH1A1KMT2AGAAHSP90AB1
SCHEMBL4976963 0.87 MAPT (0.49) KDM4EALDH1A1HTTKMT2AHSP90AB1
SCHEMBL4978008 0.86 HSP90AB1 (0.47) KDM4EALDH1A1HSP90AB1LRRK2
SCHEMBL4976790 0.86 HSP90AB1 (0.47) KDM4EALDH1A1KMT2AHSP90AB1MAPT
SCHEMBL4978645 0.86 HSP90AB1 (0.46) KDM4EALDH1A1HTTKMT2AHSP90AB1
SCHEMBL4978462 0.86 HSP90AB1 (0.44) KDM4EHSP90AB1MAPT
SCHEMBL4975968 0.86 HSP90AB1 (0.51) KDM4EALDH1A1GAAHSP90AB1MAPT
SCHEMBL4976970 0.86 PDE4B (0.56) KDM4EALDH1A1HSP90AB1LRRK2

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 KDM4E 1865/4885ALDH1A1 1142/4885HTT 640/4885

“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.