SCHEMBL4094819

SCHEMBL4094819

Cn1c(N2CC3CC2CN3C(=O)OC(C)(C)C)nc(-c2ccnc(Cl)c2)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.45
PARP1 P09874 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
HDAC1 Q13547 1/20 0.39
RET P07949 2/20 0.39
HSD11B1 P28845 1/20 0.38
GRM2 Q14416 1/20 0.38
MAPK8 P45983 1/20 0.38
KCNK3 O14649 2/20 0.35
KCNK9 Q9NPC2 2/20 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
SCHEMBL4743686 0.88 GSK3B (0.51) GSK3BPARP1HSD11B1
SCHEMBL3820415 0.88 GSK3B (0.51) GSK3BPARP1HSD11B1
SCHEMBL4095374 0.85 GPR119 (0.47) PARP1GPR119HDAC1RETHSD11B1
SCHEMBL4099561 0.85 GPR119 (0.42) PARP1GPR119HDAC1RETHSD11B1
SCHEMBL4094405 0.85 GPR119 (0.42) PARP1GPR119HDAC1RETHSD11B1
SCHEMBL4096958 0.83 PARP1 (0.40) GSK3BPARP1HDAC1MAPK8KDR
SCHEMBL1129658 0.82 GSK3B (0.56) GSK3B
SCHEMBL4091059 0.81 USP30 (0.43) PARP1GPR119HDAC1RETHSD11B1
SCHEMBL4084339 0.80 PARP1 (0.43) PARP1GPR119HDAC1RETHSD11B1
SCHEMBL4091170 0.80 PARP1 (0.46) PARP1GPR119HDAC1RETHSD11B1

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-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
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 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 (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 GSK3B 64/4885PARP1 1569/4885GPR119 701/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 GSK3B 86/4885PARP1 2042/4885GPR119 527/4885

“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.