SCHEMBL12427424

SCHEMBL12427424

COc1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.52
PDE4B Q07343 4/20 0.46
HDAC4 P56524 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HTR4 Q13639 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GABRA5 P31644 2/20 0.42
EHMT2 Q96KQ7 1/20 0.42
POLR1A O95602 1/20 0.42

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 0.92 USP30 (0.58) USP30PDE4BHDAC4HDAC6PDE4A
SCHEMBL10143889 0.92 USP30 (0.58) USP30PDE4BHDAC4HDAC6PDE4A
SCHEMBL3546076 0.89 HDAC4 (0.52) USP30PDE4BHDAC4HDAC6PDE4A
SCHEMBL12426663 0.84 HTR4 (0.56) PDE4BHTR4HDAC1HDAC2PDE4A
SCHEMBL15706793 0.82 USP30 (0.54) USP30HDAC4HDAC6GABRA5POLR1A
SCHEMBL13175766 0.82 HTR4 (0.50) USP30HTR4
SCHEMBL12426326 0.82 USP30 (0.46) USP30PDE4BHTR4PDE4APDE4C
SCHEMBL4542499 0.82 ALDH1A1 (0.52) PDE4BHDAC1HDAC2EHMT2
SCHEMBL12426368 0.82 HPGDS (0.47) HTR4
SCHEMBL14215967 0.82 PDE4B (0.46) USP30PDE4BHTR4HDAC1HDAC2

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 3379/4885PDE4B 3392/4885HDAC4 798/4885

“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.