SCHEMBL4096958

SCHEMBL4096958

C[C@@H](Nc1cc(-c2cc(=O)n(C)c(N3CC4CC3CN4C(=O)OC(C)(C)C)n2)ccn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
HDAC1 Q13547 1/20 0.39
CAMK2D Q13557 3/20 0.37
MAPK8 P45983 2/20 0.37
MAPK14 Q16539 9/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
MAPK10 P53779 1/20 0.36
RAF1 P04049 2/20 0.36
MAPK9 P45984 2/20 0.36
GSK3B P49841 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
PFKFB3 Q16875 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
SCHEMBL4089996 0.88 HDAC1 (0.40) PARP1HDAC1CAMK2DMAPK14MAPK10
SCHEMBL4090922 0.87 HDAC1 (0.38) PARP1HDAC1CAMK2DMAPK14MAPK13
SCHEMBL4091452 0.87 HDAC1 (0.38) PARP1HDAC1CAMK2DMAPK14MAPK13
SCHEMBL4084511 0.85 PARP1 (0.42) PARP1HDAC1CAMK2DMAPK8MAPK14
SCHEMBL4096944 0.85 MAPK14 (0.42) CAMK2DMAPK8MAPK14MAPK13MAPK12
SCHEMBL4096956 0.85 MAPK14 (0.42) CAMK2DMAPK8MAPK14MAPK13MAPK12
SCHEMBL4096950 0.85 MAPK14 (0.42) CAMK2DMAPK8MAPK14MAPK13MAPK12
SCHEMBL4084479 0.85 MAPK14 (0.42) CAMK2DMAPK8MAPK14MAPK13MAPK12
SCHEMBL4089979 0.84 HDAC1 (0.46) PARP1HDAC1CAMK2DMAPK8MAPK14
SCHEMBL4103101 0.84 HDAC1 (0.41) PARP1HDAC1CAMK2DMAPK8MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182072-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-08-18 US 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
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 1562/4885CAMK2D 1026/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 PARP1 2042/4885HDAC1 2036/4885CAMK2D 923/4885

“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.