SCHEMBL4091329

SCHEMBL4091329

CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(NCc3ccccc3)c2)cc2nccn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.44
GPR119 Q8TDV5 1/20 0.39
HDAC1 Q13547 1/20 0.38
PARP1 P09874 1/20 0.38
MAPK8 P45983 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
BUB1 O43683 1/20 0.35
KCNK3 O14649 4/20 0.34
KCNK9 Q9NPC2 4/20 0.34
RET P07949 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
HDAC8 Q9BY41 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
NAMPT P43490 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
SCHEMBL5981140 0.93 GPR119 (0.38) ACHEGPR119HDAC1PARP1MAPK8
SCHEMBL5980796 0.93 GPR119 (0.38) ACHEGPR119HDAC1PARP1MAPK8
SCHEMBL4096256 0.91 HDAC1 (0.38) ACHEGPR119HDAC1PARP1MAPK8
SCHEMBL4100701 0.90 ACHE (0.48) ACHEGPR119HDAC1PARP1MAPK8
SCHEMBL4090922 0.87 HDAC1 (0.38) GPR119HDAC1PARP1USP30KCNK3
SCHEMBL4091452 0.87 HDAC1 (0.38) GPR119HDAC1PARP1USP30KCNK3
SCHEMBL4091443 0.85 HDAC1 (0.38) GPR119HDAC1PARP1MAPK8USP30
SCHEMBL4101747 0.84 CCNA2 (0.40) ACHECCNA2CDK2CCNA1CCNT1
SCHEMBL4095130 0.83 HDAC1 (0.41) GPR119HDAC1PARP1USP30KCNK3
SCHEMBL4099561 0.83 GPR119 (0.42) GPR119HDAC1PARP1MAPK8USP30

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 8 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
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 ACHE 2707/4885GPR119 701/4885HDAC1 1562/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 ACHE 2633/4885GPR119 527/4885HDAC1 2036/4885

“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.