SCHEMBL12426326

SCHEMBL12426326

COc1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.46
HTR4 Q13639 12/20 0.46
KCNH2 Q12809 2/20 0.46
PDE4B Q07343 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44

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
SCHEMBL13575604 0.86 USP30 (0.58) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL10143889 0.86 USP30 (0.58) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL3546076 0.84 HDAC4 (0.52) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL12426655 0.83 HTR4 (0.48) USP30HTR4KCNH2PDE4B
SCHEMBL9967029 0.82 KDM4E (0.56) USP30
SCHEMBL12427424 0.82 USP30 (0.52) USP30HTR4PDE4BPDE4APDE4C
SCHEMBL25557719 0.81 HTR4 (0.68) HTR4KCNH2
SCHEMBL13575607 0.80 HTR4 (0.60) USP30HTR4KCNH2PDE4BPDE4A
SCHEMBL18361887 0.77 USP30 (0.53) USP30PDE4BPDE4APDE4CPDE4D
SCHEMBL13175551 0.77 TAS1R3 (0.51) HTR4PDE4BPDE4APDE4CPDE4D

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-8003785-B2 Halo-substituted pyrimidodiazepines TAKEDA PHARMACEUTICAL COMPANY LIMITED (US) 2011-08-23 US disclosed
US-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US disclosed
WO-2009153197-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO 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-20090318408-A1 HALO-SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 USP30 3379/4885HTR4 2822/4885KCNH2 1048/4885

“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.