SCHEMBL4978440

SCHEMBL4978440

Cc1ccsc1C(=O)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HSP90AA1 P07900 4/20 0.41
SIGLEC9 Q9Y336 1/20 0.40
HSP90AB1 P08238 5/20 0.40
KDM2B Q8NHM5 2/20 0.39
MAPT P10636 2/20 0.39
TLR4 O00206 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTPN11 Q06124 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
SCHEMBL4976177 0.89 HSP90AB1 (0.40) HSP90AA1HSP90AB1KDM2BMAPTTLR4
SCHEMBL4980633 0.89 HSP90AB1 (0.44) HSP90AA1HSP90AB1KDM2BMAPTTLR4
SCHEMBL4976812 0.87 LMNA (0.42) LMNAHSP90AA1HSP90AB1KDM2BMAPT
SCHEMBL4978438 0.84 SIGLEC9 (0.40) HSP90AA1SIGLEC9HSP90AB1MAPTTLR4
SCHEMBL4979609 0.84 HSP90AB1 (0.44) HSP90AA1HSP90AB1KDM2BMAPTTLR4
SCHEMBL4977801 0.84 POLB (0.49) HSP90AA1HSP90AB1KDM2BMAPTTLR4
SCHEMBL4978027 0.83 ALDH1A1 (0.53) LMNAHSP90AA1HSP90AB1MAPTKDM4E
SCHEMBL4980285 0.83 GBA1 (0.55) HSP90AA1HSP90AB1KDM2BHCRTR1HCRTR2
SCHEMBL4979058 0.83 KDM2B (0.53) LMNAHSP90AA1HSP90AB1KDM2B
SCHEMBL4976299 0.83 HSP90AB1 (0.48) HSP90AA1HSP90AB1KDM2BTLR4TLR9

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 LMNA 4534/4885HSP90AA1 2689/4885SIGLEC9 3314/4885

“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.