SCHEMBL12426360

SCHEMBL12426360

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)c(N)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
SCN9A Q15858 1/20 0.50
EPHX1 P07099 1/20 0.50
RIPK1 Q13546 1/20 0.48
PARP1 P09874 2/20 0.48
POLB P06746 1/20 0.48
HDAC4 P56524 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
DPP4 P27487 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
THRB P10828 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL12427375 0.89 PARP1 (0.49) USP30SCN9AEPHX1RIPK1PARP1
SCHEMBL25151279 0.86 USP30 (0.49) USP30SCN9AEPHX1RIPK1PARP1
SCHEMBL12427455 0.83 HDAC4 (0.55) USP30EPHX1PARP1HDAC4ALDH1A1
SCHEMBL23970939 0.82 USP30 (0.56) USP30SCN9ARIPK1PARP1HDAC4
SCHEMBL1781337 0.81 ACKR3 (0.49) USP30ALDH1A1
SCHEMBL4960694 0.81 POLB (0.58) USP30EPHX1PARP1POLBLMNA
SCHEMBL18124183 0.81 USP30 (0.67) USP30RIPK1PARP1HDAC4
SCHEMBL28513485 0.81 USP30 (0.67) USP30RIPK1PARP1HDAC4
SCHEMBL29778997 0.81 USP30 (0.67) USP30RIPK1PARP1HDAC4
SCHEMBL27194303 0.80 PARP1 (0.50) EPHX1PARP1POLBHDAC4LMNA

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 3379/4885SCN9A 2711/4885EPHX1 1891/4885

“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.