SCHEMBL4978015

SCHEMBL4978015

O=C(Cc1c(Cl)ccc(Cl)c1Cl)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.41
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PTPN11 Q06124 1/20 0.37
TLR4 O00206 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HSP90AA1 P07900 4/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL4978535 0.92 HSP90AB1 (0.44) HSP90AB1KDM4EALDH1A1PTPN11TLR4
SCHEMBL4976467 0.88 KMT2A (0.50) HSP90AB1KDM4EALDH1A1PTPN11MAPT
SCHEMBL4976877 0.87 HRH3 (0.44) HSP90AB1KDM4EALDH1A1HRH3
SCHEMBL4980033 0.86 MAPT (0.48) HSP90AB1KDM4EALDH1A1PTPN11MAPT
SCHEMBL4980689 0.85 HSP90AB1 (0.48) HSP90AB1KDM4EALDH1A1MAPTTP53
SCHEMBL4975173 0.85 HSP90AB1 (0.44) HSP90AB1KDM4EALDH1A1PTPN11TLR4
SCHEMBL4976666 0.84 ERCC1 (0.46) HSP90AB1
SCHEMBL4976061 0.83 KDM4E (0.57) HSP90AB1KDM4EALDH1A1PTPN11HCRTR1
SCHEMBL4981532 0.83 HSP90AB1 (0.43) HSP90AB1TLR4TLR9TLR8TLR7
SCHEMBL4974640 0.82 KDM4E (0.44) HSP90AB1KDM4EALDH1A1HRH3KDM2B

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 2652/4885KDM4E 1865/4885ALDH1A1 1142/4885

“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.