SCHEMBL4978645

SCHEMBL4978645

COc1ccc(Br)c(OC)c1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.46
LRRK2 Q5S007 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
PDGFRB P09619 2/20 0.37
KDR P35968 1/20 0.37
HSP90AA1 P07900 2/20 0.37
MEN1 O00255 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD4 P21917 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL4976083 0.91 HSP90AB1 (0.45) HSP90AB1LRRK2KDM4EALDH1A1HTT
SCHEMBL4975077 0.90 HSP90AB1 (0.49) HSP90AB1LRRK2KDM4EALDH1A1HTT
SCHEMBL4975968 0.86 HSP90AB1 (0.51) HSP90AB1KDM4EALDH1A1MAPTTP53
SCHEMBL4979696 0.86 KDM4E (0.52) HSP90AB1LRRK2KDM4EALDH1A1HTT
SCHEMBL4979445 0.85 HSP90AB1 (0.49) HSP90AB1LRRK2KDM4EMAPTHSP90AA1
SCHEMBL4976968 0.84 HSP90AB1 (0.49) HSP90AB1KDM4EMAPTTP53LMNA
SCHEMBL4978041 0.84 GAA (0.51) HSP90AB1KDM4EALDH1A1HTTLMNA
SCHEMBL4977938 0.84 HSP90AB1 (0.42) HSP90AB1LRRK2MAPTHSP90AA1
SCHEMBL4980664 0.84 KDM4E (0.55) HSP90AB1LRRK2KDM4EALDH1A1HTT
SCHEMBL4981538 0.83 HSP90AB1 (0.55) HSP90AB1LRRK2HSP90AA1

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 HSP90AB1 2652/4885LRRK2 1855/4885KDM4E 1865/4885

“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.