SCHEMBL4978731

SCHEMBL4978731

CSc1ccc(CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PANK3 Q9H999 1/20 0.38
TLR4 O00206 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSP90AB1 P08238 2/20 0.37
HSP90AA1 P07900 4/20 0.37
PTPN11 Q06124 1/20 0.36

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
SCHEMBL4978406 0.90 POLB (0.47) KDM4EALDH1A1PANK3TLR4TLR9
SCHEMBL4977925 0.88 HSP90AB1 (0.48) KDM4EALDH1A1PANK3MAPTHRH3
SCHEMBL4979654 0.88 MAPT (0.46) KDM4EALDH1A1NPC1RAB9APANK3
SCHEMBL4980689 0.88 HSP90AB1 (0.48) KDM4EALDH1A1PANK3MAPTHRH3
SCHEMBL4976061 0.88 KDM4E (0.57) KDM4EALDH1A1HCRTR1HCRTR2MAPT
SCHEMBL4979742 0.88 ALDH1A1 (0.48) KDM4EALDH1A1RAB9AMAPTHRH3
SCHEMBL4976114 0.88 PANK3 (0.53) KDM4EALDH1A1PANK3TLR4TLR9
SCHEMBL4978329 0.87 KDM4E (0.51) KDM4EALDH1A1TLR4TLR9TLR8
SCHEMBL4979847 0.86 HSP90AB1 (0.48) KDM4ETLR4TLR9TLR8TLR7
SCHEMBL4974912 0.86 ME2 (0.44) KDM4EALDH1A1HRH3HSP90AB1

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 1142/4885NPC1 4289/4885

“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.