SCHEMBL11969008

SCHEMBL11969008

CC(C)Oc1ncc(-c2nc(-c3ccc(N[C@H]4CC[C@@H](C(=O)O)C4)cc3)no2)cc1Cl.[KH]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.75
MINK1 Q8N4C8 3/20 0.75
DYRK3 O43781 2/20 0.75
MARK3 P27448 2/20 0.75
PLK1 P53350 2/20 0.75
MAP4K5 Q9Y4K4 2/20 0.75
ERBB2 P04626 1/20 0.62
PIM1 P11309 1/20 0.62
CAMK2B Q13554 1/20 0.62
CDC42BPA Q5VT25 1/20 0.62
PIM3 Q86V86 1/20 0.62
SRPK1 Q96SB4 1/20 0.62
MKNK2 Q9HBH9 1/20 0.62
MAP3K20 Q9NYL2 1/20 0.62
S1PR1 P21453 15/20 0.49
S1PR3 Q99500 6/20 0.49
S1PR5 Q9H228 5/20 0.49
S1PR4 O95977 2/20 0.45
KCNH2 Q12809 1/20 0.39
RORC P51449 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
SCHEMBL2345697 0.99 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL1966766 0.99 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL12391817 0.99 MAP4K4 (0.76) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL11969015 0.98 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
Potassium SCHEMBL11969024 0.98 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
Methyl Alcohol SCHEMBL11969263 0.98 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL11969002 0.98 MAP4K4 (0.75) MAP4K4MINK1DYRK3MARK3PLK1
Isopropyl Alcohol SCHEMBL11969780 0.97 MAP4K4 (0.73) MAP4K4MINK1DYRK3MARK3PLK1
SCHEMBL2342646 0.97 MAP4K4 (0.77) MAP4K4MINK1DYRK3MARK3PLK1
Alcohol SCHEMBL11969022 0.96 MAP4K4 (0.71) MAP4K4MINK1DYRK3MARK3PLK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214848-A1 [1,2,4]OXADIAZOL-3-YL ACID SALTS AND CRYSTALLINE FORMS AND THEIR PREPARATION ABBOTT LABORATORIES (US) 2012-08-23 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 (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-20120214848-A1 [1,2,4]OXADIAZOL-3-YL ACID SALTS AND CRYSTALLINE FORMS AND THEIR PREPARATION UACA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TUBA3C MAP4K4 1622/4885MINK1 1815/4885DYRK3 807/4885

“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.