SCHEMBL4978732

SCHEMBL4978732

O=C(c1cccnc1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.51
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
HSP90AA1 P07900 5/20 0.42
PTPN11 Q06124 1/20 0.42
POLB P06746 1/20 0.41
TLR4 O00206 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL4980539 0.90 HSP90AB1 (0.48) HSP90AB1HCRTR1HCRTR2MAPTKDM2B
SCHEMBL4976243 0.90 KDM2B (0.54) HSP90AB1HCRTR1HCRTR2KDM2BHSP90AA1
SCHEMBL4978487 0.88 HSP90AB1 (0.47) HSP90AB1HCRTR1HCRTR2KDM2BHSP90AA1
SCHEMBL4980707 0.88 HSP90AB1 (0.51) HSP90AB1HCRTR1HCRTR2MAPTHSP90AA1
SCHEMBL14346479 0.88 HSP90AB1 (0.46) HSP90AB1HCRTR1HCRTR2MAPTHSP90AA1
SCHEMBL4974632 0.88 KMT2A (0.46) HSP90AB1HCRTR1HCRTR2MAPTHSP90AA1
SCHEMBL4976947 0.87 MEN1 (0.53) HSP90AB1HCRTR1HCRTR2HSP90AA1PTPN11
SCHEMBL4978229 0.87 HSP90AB1 (0.50) HSP90AB1HCRTR1HCRTR2MAPTKDM2B
SCHEMBL14273428 0.87 HSP90AB1 (0.50) HSP90AB1HCRTR1HCRTR2MAPTPOLB
SCHEMBL4980440 0.86 KDM4E (0.49) HSP90AB1HCRTR1HCRTR2MAPTHSP90AA1

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 2652/4885HCRTR1 198/4885HCRTR2 161/4885

“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.