SCHEMBL4981391

SCHEMBL4981391

O=C(c1cc(Cl)cc(Cl)c1)N1CCc2cnc(N3CCN(C4CCC4)CC3)nc2CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.51
KDM2B Q8NHM5 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 5/20 0.42
HRH3 Q9Y5N1 5/20 0.41
KCNH2 Q12809 2/20 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

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
SCHEMBL4980365 0.92 HSP90AB1 (0.48) HSP90AB1KDM2BL3MBTL1KDM4EALDH1A1
SCHEMBL4979083 0.91 ALDH1A1 (0.56) HSP90AB1KDM2BL3MBTL1KDM4EALDH1A1
SCHEMBL4978554 0.90 HSP90AB1 (0.63) HSP90AB1KDM2BL3MBTL1HRH3KCNH2
SCHEMBL4981936 0.89 HSP90AB1 (0.46) HSP90AB1HSP90AA1HRH3TLR4TLR9
SCHEMBL4978462 0.88 HSP90AB1 (0.44) HSP90AB1KDM2BKDM4EHSP90AA1HRH3
SCHEMBL4976987 0.88 HSP90AB1 (0.51) HSP90AB1KDM2BL3MBTL1HRH3KCNH2
SCHEMBL4976479 0.88 HSP90AB1 (0.51) HSP90AB1KDM2BL3MBTL1KDM4EALDH1A1
SCHEMBL4976464 0.87 HSP90AB1 (0.51) HSP90AB1KDM2BL3MBTL1KDM4EALDH1A1
SCHEMBL4973611 0.87 HSP90AB1 (0.52) HSP90AB1KDM2BL3MBTL1HRH3KCNH2
SCHEMBL4978537 0.86 HSP90AB1 (0.52) HSP90AB1ALDH1A1HSP90AA1HRH3TLR4

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 2652/4885KDM2B 1937/4885L3MBTL1 2549/4885

“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.