SCHEMBL4981538

SCHEMBL4981538

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 0.55
GPR6 P46095 1/20 0.42
HSP90AA1 P07900 5/20 0.42
KDM2B Q8NHM5 2/20 0.42
LDHA P00338 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LRRK2 Q5S007 1/20 0.40

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
SCHEMBL4979839 0.91 HSP90AB1 (0.68) HSP90AB1HSP90AA1KDM2BLDHAHRH3
SCHEMBL4978532 0.89 HSP90AB1 (0.68) HSP90AB1HSP90AA1KDM2BLDHAHRH3
SCHEMBL4979445 0.88 HSP90AB1 (0.49) HSP90AB1HSP90AA1LRRK2
SCHEMBL4980394 0.86 KDM2B (0.55) HSP90AB1KDM2BHRH3
SCHEMBL4976742 0.85 KDM2B (0.57) HSP90AB1KDM2BHRH3
SCHEMBL4980322 0.84 PKM (0.55) HSP90AB1HSP90AA1KDM2BHRH3
SCHEMBL4978645 0.83 HSP90AB1 (0.46) HSP90AB1HSP90AA1LRRK2
SCHEMBL4980700 0.83 KDM4E (0.56) HSP90AB1HSP90AA1
SCHEMBL4975077 0.83 HSP90AB1 (0.49) HSP90AB1HSP90AA1KDM2BLRRK2
SCHEMBL4982016 0.82 HSP90AB1 (0.55) HSP90AB1HSP90AA1HRH3

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 2652/4885GPR6 98/4885HSP90AA1 2689/4885

“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.