SCHEMBL4091452

SCHEMBL4091452

CC(Nc1cc(-c2cc3nccn3c(N3C[C@H]4CC3CN4C(=O)OC(C)(C)C)n2)ccn1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.38
PARP1 P09874 1/20 0.38
CAMK2D Q13557 6/20 0.37
MAPK14 Q16539 5/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
PFKFB3 Q16875 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
MAPK10 P53779 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL4090922 1.00 HDAC1 (0.38) HDAC1PARP1CAMK2DMAPK14MAPK13
SCHEMBL4091443 0.91 HDAC1 (0.38) HDAC1PARP1GPR119KCNK3KCNK9
SCHEMBL4094510 0.88 CAMK2D (0.38) CAMK2DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5980438 0.88 CAMK2D (0.38) CAMK2DMAPK14MAPK13MAPK12MAPK11
SCHEMBL4091329 0.87 ACHE (0.44) HDAC1PARP1GPR119KCNK3KCNK9
SCHEMBL4096958 0.87 PARP1 (0.40) HDAC1PARP1CAMK2DMAPK14MAPK13
SCHEMBL4089996 0.87 HDAC1 (0.40) HDAC1PARP1CAMK2DMAPK14GPR119
SCHEMBL4097215 0.86 CAMK2D (0.36) CAMK2DMAPK14MAPK13MAPK12MAPK11
SCHEMBL4097222 0.86 CAMK2D (0.36) CAMK2DMAPK14MAPK13MAPK12MAPK11
SCHEMBL5980796 0.86 GPR119 (0.38) HDAC1PARP1GPR119KCNK3KCNK9

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 HDAC1 1562/4885PARP1 1569/4885CAMK2D 1026/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 HDAC1 2036/4885PARP1 2042/4885CAMK2D 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.