SCHEMBL4979839

SCHEMBL4979839

COc1ccc(OC)c(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.68
HSP90AA1 P07900 4/20 0.43
KDM2B Q8NHM5 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LDHA P00338 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 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
SCHEMBL4978532 0.93 HSP90AB1 (0.68) HSP90AB1HSP90AA1KDM2BLMNAMAPT
SCHEMBL4981538 0.91 HSP90AB1 (0.55) HSP90AB1HSP90AA1KDM2BLDHAHRH3
SCHEMBL4979037 0.91 HSP90AB1 (0.55) HSP90AB1HSP90AA1ALDH1A1KDM4ENPC1
SCHEMBL4980700 0.89 KDM4E (0.56) HSP90AB1HSP90AA1ALDH1A1HTTKDM4E
SCHEMBL4975968 0.87 HSP90AB1 (0.51) HSP90AB1HSP90AA1ALDH1A1LMNAKDM4E
SCHEMBL4980394 0.87 KDM2B (0.55) HSP90AB1KDM2BKDM4EHRH3USP2
SCHEMBL4980664 0.86 KDM4E (0.55) HSP90AB1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4978525 0.86 HSP90AB1 (0.52) HSP90AB1KDM2BALDH1A1KDM4EMAPT
SCHEMBL4976020 0.86 HSP90AB1 (0.57) HSP90AB1KDM2BALDH1A1LMNAHTT
SCHEMBL4982016 0.86 HSP90AB1 (0.55) HSP90AB1HSP90AA1ALDH1A1KDM4EHRH3

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 2652/4885HSP90AA1 2689/4885KDM2B 1937/4885

“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.