Sugi Predict

Sugi Predict / Compounds / SCHEMBL4095130

SCHEMBL4095130

SCHEMBL4095130

CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(N)c2)cc2nccn12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.41
▸ GPR119 Q8TDV5 2/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ UCHL1 P09936 1/20 0.38
▸ RET P07949 2/20 0.37
▸ HSD11B1 P28845 1/20 0.35
▸ KCNK3 O14649 4/20 0.35
▸ KCNK9 Q9NPC2 4/20 0.35
▸ MAP3K12 Q12852 3/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL4094405 0.90 GPR119 (0.42) HDAC1GPR119PARP1RETHSD11B1
SCHEMBL4099561 0.90 GPR119 (0.42) HDAC1GPR119PARP1RETHSD11B1
SCHEMBL4091443 0.86 HDAC1 (0.38) HDAC1GPR119PARP1RETHSD11B1
SCHEMBL4091329 0.83 ACHE (0.44) HDAC1GPR119PARP1RETKCNK3
SCHEMBL4090922 0.83 HDAC1 (0.38) HDAC1GPR119PARP1KCNK3KCNK9
SCHEMBL4091452 0.83 HDAC1 (0.38) HDAC1GPR119PARP1KCNK3KCNK9
SCHEMBL5981135 0.83 PARP1 (0.37) HDAC1GPR119PARP1UCHL1RET
SCHEMBL5980796 0.82 GPR119 (0.38) HDAC1GPR119PARP1RETKCNK3
SCHEMBL5981140 0.82 GPR119 (0.38) HDAC1GPR119PARP1RETKCNK3
SCHEMBL4090120 0.82 HDAC1 (0.36) HDAC1GPR119PARP1UCHL1RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727821-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2006-12-06 — — EP claimed
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 — — US claimed
WO-2005070934-A1 SUBSTITUTED DIAZABICYCLOHEPTANES AND THEIR USE AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2005-08-04 — — WO claimed
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
WO-2005110988-A1 PYRIDONE COMPOUNDS AS INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-24 — — WO 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 HDAC1 1562/4885GPR119 701/4885PARP1 1569/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HDAC1 2036/4885GPR119 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.