SCHEMBL4089886

SCHEMBL4089886

C[C@H](Nc1cc(-n2nc(N3C[C@@H]4C[C@H]3CN4C(=O)O)c3ccc(C(F)(F)F)cc32)ccn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 2/20 0.40
PLK1 P53350 15/20 0.39
MAPK14 Q16539 3/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 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
SCHEMBL4088559 0.90 PLK1 (0.46) PLK1
SCHEMBL4103090 0.86 ITGAL (0.40) ITGALMAPK14
SCHEMBL4084537 0.85 MAPK14 (0.42) PLK1MAPK14MAPK13RAF1MAPK9
SCHEMBL4089777 0.84 PLK1 (0.43) PLK1MAPK14
SCHEMBL6533999 0.82 PLK1 (0.42) PLK1
SCHEMBL4101616 0.82 PARP1 (0.40) PLK1
SCHEMBL4098948 0.82 PARP1 (0.40) PLK1
SCHEMBL4096941 0.82 PARP1 (0.40) PLK1
SCHEMBL6533541 0.79 MAPK8 (0.43) ITGALMAPK14
SCHEMBL4094679 0.78 PLK1 (0.48) PLK1

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 ITGAL 726/4885PLK1 1061/4885MAPK14 1220/4885
US-20050182072-A1 Substituted heterocyclic compounds and methods of use HLA-DRB1, PRKDC, NFATC1 ITGAL 720/4885PLK1 1156/4885MAPK14 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.