SCHEMBL4091483

SCHEMBL4091483

C[C@H](Nc1cc(-c2cc(=O)n(C)c(N3CC4CC3CN4C)n2)ccn1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.44
MAPK14 Q16539 8/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ERBB2 P04626 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL4096950 0.91 MAPK14 (0.42) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4096944 0.91 MAPK14 (0.42) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4084479 0.91 MAPK14 (0.42) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4096956 0.91 MAPK14 (0.42) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4090017 0.83 MAPK14 (0.41) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL5991023 0.79 GSK3B (0.43) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4092426 0.79 GSK3B (0.43) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4090526 0.79 GSK3B (0.43) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4096958 0.77 PARP1 (0.40) GSK3BMAPK14MAPK13MAPK12MAPK11
SCHEMBL4095014 0.76 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11EGFR

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 GSK3B 64/4885MAPK14 1220/4885MAPK13 300/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 GSK3B 86/4885MAPK14 964/4885MAPK13 321/4885

“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.