SCHEMBL4100701

SCHEMBL4100701

CC(C)(C)OC(=O)N1CC2CC1CN2c1nc(-c2ccnc(NCc3cccc4ccccc34)c2)cc2nccn12

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
PARP1 P09874 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC1 Q13547 1/20 0.36
MAPK8 P45983 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36

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
SCHEMBL4096256 0.91 HDAC1 (0.38) ACHEPARP1HDAC1MAPK8GPR119
SCHEMBL4091329 0.90 ACHE (0.44) ACHEPARP1HDAC1MAPK8GPR119
SCHEMBL5981140 0.86 GPR119 (0.38) ACHEPARP1HDAC1MAPK8GPR119
SCHEMBL5980796 0.86 GPR119 (0.38) ACHEPARP1HDAC1MAPK8GPR119
SCHEMBL4091452 0.83 HDAC1 (0.38) PARP1HDAC1GPR119
SCHEMBL4090922 0.83 HDAC1 (0.38) PARP1HDAC1GPR119
SCHEMBL4091458 0.83 ACHE (0.42) ACHEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL4095535 0.83 ACHE (0.42) ACHEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL4091443 0.83 HDAC1 (0.38) PARP1HDAC1MAPK8GPR119
SCHEMBL4095130 0.81 HDAC1 (0.41) PARP1HDAC1GPR119

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 ACHE 2707/4885PARP1 1569/4885MEN1 255/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 ACHE 2633/4885PARP1 2042/4885MEN1 344/4885

“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.