SCHEMBL4975235

SCHEMBL4975235

COc1cc(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.43
PKM P14618 1/20 0.40
HRH3 Q9Y5N1 5/20 0.40
HSP90AA1 P07900 4/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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 0.91 HSP90AB1 (0.48) HSP90AB1HRH3HSP90AA1KCNH2KDM4E
SCHEMBL4981936 0.90 HSP90AB1 (0.46) HSP90AB1HRH3HSP90AA1MAPT
SCHEMBL4980322 0.87 PKM (0.55) HSP90AB1PKMHRH3HSP90AA1KDM4E
SCHEMBL4981391 0.86 HSP90AB1 (0.51) HSP90AB1HRH3HSP90AA1KCNH2KDM4E
SCHEMBL4979696 0.85 KDM4E (0.52) HSP90AB1PKMMAPTKDM4EALDH1A1
SCHEMBL4976479 0.85 HSP90AB1 (0.51) HSP90AB1HRH3HSP90AA1KCNH2KDM4E
SCHEMBL4978008 0.84 HSP90AB1 (0.47) HSP90AB1HRH3KDM4EALDH1A1LRRK2
SCHEMBL4978462 0.84 HSP90AB1 (0.44) HSP90AB1HRH3HSP90AA1MAPTKDM4E
SCHEMBL4980394 0.83 KDM2B (0.55) HSP90AB1PKMHRH3KCNH2KDM4E
SCHEMBL4977938 0.83 HSP90AB1 (0.42) HSP90AB1HRH3HSP90AA1MAPTLRRK2

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 2652/4885PKM 1604/4885HRH3 1/4885

“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.