SCHEMBL4978485

SCHEMBL4978485

Cc1cc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)nn1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.43
TLR4 O00206 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.40
PDE2A O00408 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HSP90AB1 P08238 6/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NR2E1 Q9Y466 1/20 0.38
SMYD2 Q9NRG4 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
SCHEMBL4980651 0.85 HSP90AA1 (0.47) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4977211 0.85 POLB (0.48) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4978462 0.83 HSP90AB1 (0.44) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4978441 0.82 HSP90AA1 (0.45) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4979070 0.81 HSP90AA1 (0.41) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4979058 0.81 KDM2B (0.53) HSP90AA1MEN1KMT2AHSP90AB1
SCHEMBL4976299 0.81 HSP90AB1 (0.48) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4976153 0.80 HSP90AB1 (0.48) MAPTHCRTR1HCRTR2HSP90AB1
SCHEMBL4979609 0.80 HSP90AB1 (0.44) HSP90AA1TLR4TLR9TLR8TLR7
SCHEMBL4980054 0.80 HSP90AA1 (0.41) HSP90AA1TLR4TLR9TLR8TLR7

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 2689/4885TLR4 721/4885TLR9 653/4885

“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.