SCHEMBL4976177

SCHEMBL4976177

O=C(c1sccc1Br)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.40
HSP90AA1 P07900 5/20 0.39
PTPN11 Q06124 1/20 0.37
TLR4 O00206 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
MAPT P10636 2/20 0.36
KDM2B Q8NHM5 2/20 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
SCHEMBL4978440 0.89 LMNA (0.42) HSP90AB1HSP90AA1PTPN11TLR4TLR9
SCHEMBL4980633 0.89 HSP90AB1 (0.44) HSP90AB1HSP90AA1PTPN11TLR4TLR9
SCHEMBL4976812 0.85 LMNA (0.42) HSP90AB1HSP90AA1TLR4TLR9TLR8
SCHEMBL4978027 0.83 ALDH1A1 (0.53) HSP90AB1HSP90AA1PTPN11MAPT
SCHEMBL4980383 0.83 RECQL (0.50) HSP90AB1HSP90AA1PTPN11TLR4TLR9
SCHEMBL4980389 0.81 HSP90AB1 (0.45) HSP90AB1HSP90AA1PTPN11TLR4TLR9
SCHEMBL4974914 0.81 MEN1 (0.50) HSP90AB1HSP90AA1PTPN11HCRTR1HCRTR2
SCHEMBL4976359 0.81 HSP90AB1 (0.52) HSP90AB1PTPN11KDM2B
SCHEMBL4977942 0.81 KDM4E (0.53) HSP90AB1HSP90AA1HCRTR1HCRTR2MAPT
SCHEMBL4978438 0.81 SIGLEC9 (0.40) HSP90AB1HSP90AA1TLR4TLR9TLR8

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 2652/4885HSP90AA1 2689/4885PTPN11 4015/4885

“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.