SCHEMBL4096941

SCHEMBL4096941

CC(Nc1cc(-n2nc(N3CC4CC3CN4C(=O)OC(C)(C)C)c3ccccc32)ccn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
MAPK8 P45983 1/20 0.39
HDAC1 Q13547 1/20 0.39
PLK1 P53350 15/20 0.38
GPR119 Q8TDV5 1/20 0.37
SPR P35270 1/20 0.34

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
SCHEMBL4101616 1.00 PARP1 (0.40) PARP1MAPK8HDAC1PLK1GPR119
SCHEMBL4098948 1.00 PARP1 (0.40) PARP1MAPK8HDAC1PLK1GPR119
SCHEMBL6533999 0.93 PLK1 (0.42) PARP1MAPK8HDAC1PLK1
SCHEMBL4089777 0.93 PLK1 (0.43) PARP1MAPK8HDAC1PLK1
SCHEMBL5986376 0.85 PARP1 (0.42) PARP1MAPK8HDAC1GPR119SPR
SCHEMBL4094807 0.83 PLK1 (0.42) PLK1
SCHEMBL4084908 0.83 PLK1 (0.42) PLK1
SCHEMBL4094651 0.83 PLK1 (0.42) PLK1
SCHEMBL4088559 0.83 PLK1 (0.46) PLK1
SCHEMBL4089886 0.82 ITGAL (0.40) PLK1

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 PARP1 1569/4885MAPK8 1645/4885HDAC1 1562/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885MAPK8 1971/4885HDAC1 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.