SCHEMBL1964607

SCHEMBL1964607

CC(=O)OC(=O)[C@H]1CC[C@H](Nc2ccc(-c3nc(-c4ccc(N5CCC(F)CC5)c(C(F)(F)F)c4)no3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK3 O43781 2/20 0.58
MAP4K4 O95819 2/20 0.58
MARK3 P27448 2/20 0.58
PLK1 P53350 2/20 0.58
MINK1 Q8N4C8 2/20 0.58
MAP4K5 Q9Y4K4 2/20 0.58
ERBB2 P04626 1/20 0.58
PIM1 P11309 1/20 0.58
CAMK2B Q13554 1/20 0.58
CDC42BPA Q5VT25 1/20 0.58
PIM3 Q86V86 1/20 0.58
SRPK1 Q96SB4 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
MAP3K20 Q9NYL2 1/20 0.58
S1PR1 P21453 15/20 0.43
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL2339133 1.00 DYRK3 (0.58) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2340483 0.92 DYRK3 (0.58) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL1967762 0.92 DYRK3 (0.58) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL1964609 0.91 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL2339131 0.91 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
Acetic Acid SCHEMBL2339184 0.91 DYRK3 (0.66) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2346586 0.90 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL2340623 0.90 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL1966997 0.90 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1
SCHEMBL1967000 0.90 DYRK3 (0.67) DYRK3MAP4K4MARK3PLK1MINK1

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
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO 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 (1 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 DYRK3 2951/4885MAP4K4 2535/4885MARK3 2064/4885

“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.