SCHEMBL4979445

SCHEMBL4979445

COc1cc(Br)c(C(=O)N2CCc3cnc(N4CCN(C5CCC5)CC4)nc3CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.49
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
HSP90AA1 P07900 6/20 0.43
LRRK2 Q5S007 1/20 0.43
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39

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
SCHEMBL4980550 0.90 HSP90AB1 (0.49) HSP90AB1HSP90AA1KDM4EMAPT
SCHEMBL4981538 0.88 HSP90AB1 (0.55) HSP90AB1HSP90AA1LRRK2
SCHEMBL4980700 0.86 KDM4E (0.56) HSP90AB1HCRTR1HCRTR2HSP90AA1KDM4E
SCHEMBL4975077 0.86 HSP90AB1 (0.49) HSP90AB1HCRTR1HCRTR2HSP90AA1LRRK2
SCHEMBL4976800 0.86 MAPT (0.43) HSP90AB1HSP90AA1LRRK2MAPT
SCHEMBL4979839 0.85 HSP90AB1 (0.68) HSP90AB1HSP90AA1KDM4EMAPT
SCHEMBL4978532 0.85 HSP90AB1 (0.68) HSP90AB1HCRTR1HCRTR2HSP90AA1MAPT
SCHEMBL4980664 0.85 KDM4E (0.55) HSP90AB1LRRK2KDM4EMAPT
SCHEMBL4978702 0.85 HSP90AB1 (0.47) HSP90AB1HCRTR1HCRTR2HSP90AA1LRRK2
SCHEMBL4979037 0.85 HSP90AB1 (0.55) HSP90AB1HSP90AA1KDM4E

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 2652/4885HCRTR1 198/4885HCRTR2 161/4885

“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.