SCHEMBL4980672

SCHEMBL4980672

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 4/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.42
STAT6 P42226 1/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSP90AB1 P08238 3/20 0.41
LMNA P02545 1/20 0.41
CFD P00746 2/20 0.41
PTGS2 P35354 1/20 0.41
PDGFRB P09619 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
SCHEMBL4980682 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4976717 0.91 KDM4E (0.52) ALDH1A1KDM4EKMT2AHSP90AB1
SCHEMBL4976734 0.91 KDM4E (0.52) ALDH1A1KDM4EKMT2AHSP90AB1
SCHEMBL4976818 0.90 HSP90AB1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4976823 0.90 HSP90AB1 (0.42) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4979716 0.88 HSP90AB1 (0.42) MEN1KMT2AATMMAPTHSP90AB1
SCHEMBL4979726 0.88 HSP90AB1 (0.42) MEN1KMT2AATMMAPTHSP90AB1
SCHEMBL4978895 0.87 HSP90AB1 (0.42) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL4978885 0.87 HSP90AB1 (0.42) ALDH1A1KDM4EHPGDKMT2AMAPT
SCHEMBL4981982 0.87 ALDH1A1 (0.46) ALDH1A1MAPTTP53HSP90AB1

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 2 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

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 ALDH1A1 1142/4885KDM4E 1865/4885HPGD 159/4885

“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.