SCHEMBL4976994

SCHEMBL4976994

COc1cccc(C=CC(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 3/20 0.46
KDM2B Q8NHM5 1/20 0.44
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL4976976 1.00 HSP90AB1 (0.46) HSP90AB1KDM2BACHEMAPTTRPM8
SCHEMBL4976818 0.92 HSP90AB1 (0.42) HSP90AB1KDM2BMAPTALDH1A1HRH3
SCHEMBL4976823 0.92 HSP90AB1 (0.42) HSP90AB1KDM2BMAPTALDH1A1HRH3
SCHEMBL4981982 0.90 ALDH1A1 (0.46) HSP90AB1KDM2BACHEMAPTALDH1A1
SCHEMBL4981967 0.90 ALDH1A1 (0.46) HSP90AB1KDM2BACHEMAPTALDH1A1
SCHEMBL4980613 0.90 L3MBTL1 (0.42) HSP90AB1KDM2BMAPTTRPM8L3MBTL1
SCHEMBL4980622 0.90 L3MBTL1 (0.42) HSP90AB1KDM2BMAPTTRPM8L3MBTL1
SCHEMBL4976717 0.88 KDM4E (0.52) HSP90AB1ACHEL3MBTL1ALDH1A1TDP1
SCHEMBL4976734 0.88 KDM4E (0.52) HSP90AB1ACHEL3MBTL1ALDH1A1TDP1
SCHEMBL4978465 0.88 L3MBTL1 (0.55) HSP90AB1MAPTL3MBTL1ALDH1A1HRH3

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 2 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

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 1937/4885ACHE 2948/4885

“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.