SCHEMBL4094681

SCHEMBL4094681

CC(C)N1C[C@@H]2C[C@H]1CN2c1ccn(-c2ccnc(N[C@@H](C)c3ccccc3)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
MAPK13 O15264 3/20 0.36
MAPK12 P53778 3/20 0.36
MAPK11 Q15759 3/20 0.36
HTR7 P34969 3/20 0.36
IDH1 O75874 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
PLK1 P53350 3/20 0.35
MAP3K12 Q12852 1/20 0.35
MAPK10 P53779 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
SCHEMBL15072261 0.85 CASR (0.36) IDH1PLK1MAP3K12
SCHEMBL15072735 0.85 CASR (0.36) IDH1PLK1MAP3K12
SCHEMBL13708552 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL4092452 0.82 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11HTR7
SCHEMBL4084908 0.80 PLK1 (0.42) HTR7IDH1PLK1
SCHEMBL4094651 0.80 PLK1 (0.42) HTR7IDH1PLK1
SCHEMBL4094807 0.80 PLK1 (0.42) HTR7IDH1PLK1
SCHEMBL4094679 0.77 PLK1 (0.48) PLK1
SCHEMBL4096056 0.77 PLK1 (0.41) HTR7PLK1
SCHEMBL4091257 0.76 PLK1 (0.46) MAPK14HTR7PLK1

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 MAPK14 1220/4885MAPK13 300/4885MAPK12 756/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 MAPK14 964/4885MAPK13 321/4885MAPK12 639/4885

“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.