SCHEMBL4091059

SCHEMBL4091059

CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(Cl)c2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 5/20 0.43
GPR119 Q8TDV5 2/20 0.43
PARP1 P09874 1/20 0.42
HDAC1 Q13547 1/20 0.40
RET P07949 2/20 0.40
UCHL1 P09936 3/20 0.39
HSD11B1 P28845 1/20 0.38
KCNK3 O14649 2/20 0.36
KCNK9 Q9NPC2 2/20 0.36
MAPK8 P45983 1/20 0.36
CYP3A4 P08684 1/20 0.35
ROCK1 Q13464 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL4095374 0.84 GPR119 (0.47) GPR119PARP1HDAC1RETHSD11B1
SCHEMBL4094819 0.81 GSK3B (0.45) GPR119PARP1HDAC1RETHSD11B1
SCHEMBL4084339 0.81 PARP1 (0.43) GPR119PARP1HDAC1RETHSD11B1
SCHEMBL4094405 0.80 GPR119 (0.42) USP30GPR119PARP1HDAC1RET
SCHEMBL4099561 0.80 GPR119 (0.42) USP30GPR119PARP1HDAC1RET
SCHEMBL4091170 0.80 PARP1 (0.46) USP30GPR119PARP1HDAC1RET
SCHEMBL4084345 0.77 GPR119 (0.41) GPR119PARP1HDAC1RETHSD11B1
SCHEMBL4089028 0.77 PARP1 (0.46) USP30GPR119PARP1HDAC1RET
SCHEMBL4091371 0.77 PARP1 (0.46) USP30GPR119PARP1HDAC1RET
SCHEMBL5981246 0.77 PARP1 (0.46) GPR119PARP1HDAC1RETHSD11B1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582631-B2 Paget's disease; muscular disorders; cardiovascular disorders; antiinflamamtory agents; antidiabetic agents; autoimmune disease; leukemia AMGEN INC. (US) 2009-09-01 US disclosed
US-20090149468-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-06-11 US disclosed
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 EP disclosed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US disclosed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 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 (2 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-20090149468-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 USP30 4697/4885GPR119 701/4885PARP1 1569/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 USP30 4582/4885GPR119 527/4885PARP1 2042/4885

“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.