SCHEMBL4980433

SCHEMBL4980433

Cc1ccc(N)c(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.44
HSP90AB1 P08238 6/20 0.44
PTPN11 Q06124 1/20 0.42
HCRTR1 O43613 3/20 0.40
HCRTR2 O43614 3/20 0.40
TLR4 O00206 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
KMT2A Q03164 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
SCHEMBL4978059 0.91 HSP90AA1 (0.47) HSP90AA1HSP90AB1HCRTR1HCRTR2TLR4
SCHEMBL4974600 0.90 HSP90AB1 (0.47) HSP90AA1HSP90AB1PTPN11KDM2B
SCHEMBL4975414 0.89 HSP90AB1 (0.46) HSP90AA1HSP90AB1HCRTR1HCRTR2TLR4
SCHEMBL4976933 0.87 PTPN11 (0.48) HSP90AA1HSP90AB1PTPN11HCRTR1HCRTR2
SCHEMBL4973606 0.86 PTPN11 (0.44) HSP90AA1HSP90AB1PTPN11HCRTR1HCRTR2
SCHEMBL4979058 0.85 KDM2B (0.53) HSP90AA1HSP90AB1KDM2BKMT2A
SCHEMBL14346635 0.85 HSP90AB1 (0.46) HSP90AA1HSP90AB1PTPN11TLR4TLR9
SCHEMBL4975387 0.84 GBA1 (0.45) HSP90AA1HSP90AB1PTPN11HCRTR1HCRTR2
SCHEMBL4974646 0.84 HSP90AB1 (0.47) HSP90AA1HSP90AB1PTPN11TLR4TLR9
SCHEMBL4974685 0.84 HSP90AB1 (0.47) HSP90AA1HSP90AB1PTPN11KDM2B

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 HSP90AA1 2689/4885HSP90AB1 2652/4885PTPN11 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.