SCHEMBL4980339

SCHEMBL4980339

COc1ccc(CN2CCc3ncnc(N4CCN(C5CCC5)CC4)c3CC2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPK1 P28482 2/20 0.48
TLR7 Q9NYK1 4/20 0.44
TLR9 Q9NR96 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
PDE2A O00408 1/20 0.41
TRPV6 Q9H1D0 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
SCHEMBL14273308 0.94 KDM4E (0.46) KDM4EMAPK1TLR7TLR9KMT2A
SCHEMBL4974936 0.93 HSP90AB1 (0.45) KDM4EMAPK1TLR7TLR9KMT2A
SCHEMBL4976167 0.88 KMT2A (0.46) TLR7TLR9KMT2AMEN1ALDH1A1
SCHEMBL4976199 0.87 HSP90AB1 (0.47) KDM4ETLR7TLR9TSHRGAA
SCHEMBL4976620 0.84 KDM4E (0.46) KDM4ETLR7TLR9KMT2AMEN1
SCHEMBL4979732 0.82 KMT2A (0.45) TLR7TLR9KMT2AMEN1LMNA
SCHEMBL4976290 0.80 EPHX2 (0.44) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL4975390 0.80 HSP90AB1 (0.57) KDM4EMAPK1TLR7TLR9KMT2A
SCHEMBL4978233 0.78 KDM4E (0.43) KDM4ETLR7TLR9KMT2AMEN1
SCHEMBL4976029 0.78 HRH1 (0.44) KDM4ETLR7KMT2AMEN1LMNA

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 1865/4885MAPK1 3707/4885TLR7 799/4885

“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.