SCHEMBL4084511

SCHEMBL4084511

CC(Nc1cc(-c2cc(N3CC4CC3CN4C(=O)OC(C)(C)C)c3ccccc3n2)ccn1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
HDAC1 Q13547 1/20 0.39
MAPK14 Q16539 8/20 0.39
CAMK2D Q13557 3/20 0.37
PFKFB3 Q16875 1/20 0.37
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK8 P45983 1/20 0.35
TACR3 P29371 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TBK1 Q9UHD2 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
SCHEMBL13708582 0.87 PARP1 (0.42) PARP1HDAC1MAPK14CAMK2DMAPK13
SCHEMBL4084666 0.87 PARP1 (0.42) PARP1HDAC1MAPK14CAMK2DMAPK13
SCHEMBL4084220 0.87 PARP1 (0.42) PARP1HDAC1MAPK14CAMK2DMAPK13
SCHEMBL4089996 0.87 HDAC1 (0.40) PARP1HDAC1MAPK14CAMK2DPFKFB3
SCHEMBL4096958 0.85 PARP1 (0.40) PARP1HDAC1MAPK14CAMK2DPFKFB3
SCHEMBL5981354 0.85 PARP1 (0.41) PARP1HDAC1MAPK8GPR119ACACB
SCHEMBL4089979 0.84 HDAC1 (0.46) PARP1HDAC1MAPK14CAMK2DMAPK8
SCHEMBL4091170 0.84 PARP1 (0.46) PARP1HDAC1MAPK8GPR119ACACB
SCHEMBL13708590 0.84 MAPK14 (0.46) MAPK14CAMK2DMAPK13MAPK12MAPK11
SCHEMBL4094473 0.84 MAPK14 (0.46) MAPK14CAMK2DMAPK13MAPK12MAPK11

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 1569/4885HDAC1 1562/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885HDAC1 2036/4885MAPK14 964/4885

“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.