SCHEMBL4976800

SCHEMBL4976800

COc1cc(Br)c(CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HSP90AB1 P08238 4/20 0.41
LRRK2 Q5S007 2/20 0.39
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 4/20 0.37
CCR3 P51677 1/20 0.37
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL4979699 0.89 HSP90AB1 (0.44) MAPTHSP90AB1LRRK2TSHRMAPK1
SCHEMBL4976253 0.87 KDM4E (0.48) MAPTHSP90AB1TSHRCCR3
SCHEMBL4978525 0.86 HSP90AB1 (0.52) MAPTHSP90AB1TSHR
SCHEMBL4978047 0.86 HSP90AB1 (0.52) MAPTHSP90AB1TSHRTLR9TLR7
SCHEMBL4979675 0.86 ALDH1A1 (0.48) MAPTHSP90AB1TSHRMAPK1HSD17B10
SCHEMBL4979445 0.86 HSP90AB1 (0.49) MAPTHSP90AB1LRRK2HSP90AA1
SCHEMBL4976963 0.85 MAPT (0.49) MAPTHSP90AB1TSHR
SCHEMBL4977156 0.85 HSP90AB1 (0.43) MAPTHSP90AB1CCR3
SCHEMBL4973690 0.84 HSP90AB1 (0.43) HSP90AB1MAPK1HSP90AA1CCR3TLR4
SCHEMBL4978128 0.84 DGAT1 (0.46) MAPTHSP90AB1CCR3

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 MAPT 2301/4885HSP90AB1 2652/4885LRRK2 1855/4885

“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.