SCHEMBL837745

SCHEMBL837745

COc1ccc(C(C#N)C(=O)c2ccnc(C)c2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK1A Q13627 1/20 0.36
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
TYK2 P29597 2/20 0.35
JAK2 O60674 1/20 0.35
MDM2 Q00987 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
SLC2A1 P11166 1/20 0.34
S1PR4 O95977 1/20 0.34
RECQL P46063 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33

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
SCHEMBL480081 0.84 ROCK2 (0.40) DYRK1AROCK2ROCK1TYK2JAK2
SCHEMBL480142 0.81 TYK2 (0.38) DYRK1AROCK2ROCK1TYK2JAK2
SCHEMBL1865674 0.77 ACACB (0.39) TYK2JAK2MDM2S1PR1S1PR3
SCHEMBL479759 0.74 CYP11B1 (0.40) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL480035 0.73 ROCK2 (0.42) ROCK2ROCK1TYK2JAK2MDM2
SCHEMBL838746 0.72 L3MBTL1 (0.43) ESR2HSD17B10L3MBTL1LMNATP53
SCHEMBL479898 0.71 DYRK1A (0.40) L3MBTL1DYRK1ATYK2JAK2LMNA
SCHEMBL837983 0.70 MAOA (0.44) S1PR1S1PR3RECQLMAPTRAB9A
SCHEMBL480170 0.68 DYRK1A (0.40) DYRK1AROCK2ROCK1TYK2JAK2
SCHEMBL473899 0.67 RECQL (0.42) HSD17B10MDM2S1PR1S1PR3RECQL

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 ESR2 241/4885HSD17B10 325/4885L3MBTL1 2134/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R ESR2 241/4885HSD17B10 325/4885L3MBTL1 2134/4885

“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.