SCHEMBL4976253

SCHEMBL4976253

COc1ccccc1CC(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
CCR3 P51677 1/20 0.47
HSP90AB1 P08238 3/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4977156 0.93 HSP90AB1 (0.43) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL4976925 0.92 LMNA (0.51) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL4974962 0.90 KDM4E (0.41) KDM4EALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL4976975 0.89 TMEM97 (0.44) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL4978047 0.89 HSP90AB1 (0.52) KDM4EALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL4978525 0.89 HSP90AB1 (0.52) KDM4EALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL4980609 0.89 HSP90AB1 (0.40) KDM4EALDH1A1CCR3HSP90AB1LMNA
SCHEMBL4976502 0.89 KDM4E (0.50) KDM4EALDH1A1KMT2AMEN1HSP90AB1
SCHEMBL4973587 0.89 LMNA (0.48) KDM4EALDH1A1KMT2AMEN1CCR3
SCHEMBL4979699 0.89 HSP90AB1 (0.44) KDM4EALDH1A1CCR3HSP90AB1TDP1

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 4 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
WO-2007146122-A2 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-12-21 WO 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 1142/4885KMT2A 1417/4885

“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.