SCHEMBL4975968

SCHEMBL4975968

COc1ccc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.51
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 5/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL4976968 0.93 HSP90AB1 (0.49) HSP90AB1TP53MAPTLMNAHSP90AA1
SCHEMBL4978041 0.92 GAA (0.51) HSP90AB1ALDH1A1LMNAHSP90AA1GAA
SCHEMBL4980700 0.88 KDM4E (0.56) HSP90AB1ALDH1A1HSP90AA1KDM4E
SCHEMBL4979839 0.87 HSP90AB1 (0.68) HSP90AB1ALDH1A1MAPTLMNAHSP90AA1
SCHEMBL4978532 0.87 HSP90AB1 (0.68) HSP90AB1MAPTLMNAHSP90AA1
SCHEMBL4978645 0.86 HSP90AB1 (0.46) HSP90AB1ALDH1A1TP53MAPTLMNA
SCHEMBL4979037 0.86 HSP90AB1 (0.55) HSP90AB1ALDH1A1HSP90AA1KDM4E
SCHEMBL4982016 0.86 HSP90AB1 (0.55) HSP90AB1ALDH1A1HSP90AA1KDM4E
SCHEMBL4979696 0.86 KDM4E (0.52) HSP90AB1ALDH1A1MAPTGAAKDM4E
SCHEMBL4975077 0.86 HSP90AB1 (0.49) HSP90AB1ALDH1A1MAPTHSP90AA1KDM4E

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 2652/4885ALDH1A1 1142/4885L3MBTL1 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.