SCHEMBL838612

SCHEMBL838612

N#Cc1ccc2ncc(C(=O)O)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
PIN1 Q13526 1/20 0.49
KDM4C Q9H3R0 1/20 0.45
SLC22A12 Q96S37 2/20 0.43
MAP4K4 O95819 1/20 0.43
XDH P47989 2/20 0.41
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
PSMD14 O00487 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP11B2 P19099 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
VNN1 O95497 2/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL10465639 0.81 MGAM (0.70) MGAMPSMD14
SCHEMBL837746 0.79 MAOB (0.49)
SCHEMBL61876 0.77 MGAM (0.64) MGAMMAP4K4PSMD14DYRK1ABCAT1
SCHEMBL3561878 0.76 PLAU (0.54) PIN1KDM4CSLC22A12MAP4K4XDH
SCHEMBL12928124 0.76 MGAM (0.62) MGAMPSMD14BCAT1
SCHEMBL9508 0.76 MGAM (0.62) MGAMPSMD14
Hydrochloric Acid SCHEMBL2749769 0.76 MGAM (0.62) MGAMMAP4K4PSMD14DYRK1ABCAT1
SCHEMBL845818 0.76 MGAM (0.62) MGAMMAP4K4PSMD14
SCHEMBL2306751 0.76 MGAM (0.62) MGAMPSMD14CSNK2A2CSNK2B
SCHEMBL13386768 0.76 MGAM (0.62) MGAMPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
EP-2205562-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
WO-2009040288-A1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 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 (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-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MGAM 2983/4885PIN1 3088/4885KDM4C 4679/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R MGAM 2983/4885PIN1 3088/4885KDM4C 4679/4885

“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.