SCHEMBL4980200

SCHEMBL4980200

COc1ccc(OC)c(CN2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.67
MAPT P10636 5/20 0.51
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL4978287 0.94 HSP90AB1 (0.76) HSP90AB1MAPTTP53LMNA
SCHEMBL4975390 0.93 HSP90AB1 (0.57) HSP90AB1MAPTTP53LMNAKDM4E
SCHEMBL4976466 0.88 LMNA (0.56) HSP90AB1MAPTTP53LMNA
SCHEMBL4980630 0.87 HSP90AB1 (0.66) HSP90AB1MAPTTP53LMNAKDM4E
SCHEMBL4978525 0.86 HSP90AB1 (0.52) HSP90AB1MAPTTP53KDM4ETSHR
SCHEMBL4978676 0.84 MAPT (0.55) HSP90AB1MAPTTP53LMNAKDM4E
SCHEMBL4977576 0.82 LMNA (0.65) HSP90AB1MAPTTP53LMNA
SCHEMBL4979839 0.81 HSP90AB1 (0.68) HSP90AB1MAPTLMNAKDM4E
SCHEMBL4978047 0.81 HSP90AB1 (0.52) HSP90AB1MAPTKDM4ETSHR
SCHEMBL4974936 0.80 HSP90AB1 (0.45) HSP90AB1MAPTKDM4ETSHRL3MBTL1

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 2652/4885MAPT 2301/4885TP53 1765/4885

“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.