SCHEMBL480142

SCHEMBL480142

COC(=O)C(C(=O)c1ccnc(C)c1)c1ccc(OC)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
DYRK1A Q13627 2/20 0.37
MDM2 Q00987 1/20 0.37
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
KMT2A Q03164 1/20 0.35

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 0.85 ROCK2 (0.40) TYK2JAK2ROCK2ROCK1DYRK1A
SCHEMBL837745 0.81 ESR2 (0.37) TYK2JAK2ROCK2ROCK1DYRK1A
SCHEMBL480035 0.74 ROCK2 (0.42) TYK2JAK2ROCK2ROCK1MDM2
SCHEMBL5429818 0.73 CDC7 (0.44) MAPK1LMNAKDM4ENPC1RAB9A
SCHEMBL479938 0.73 ALDH1A1 (0.44) MAPK1KDM4ERAB9ACDC7DBF4
SCHEMBL479898 0.71 DYRK1A (0.40) TYK2JAK2DYRK1ALMNANPC1
SCHEMBL480170 0.69 DYRK1A (0.40) TYK2JAK2ROCK2ROCK1DYRK1A
SCHEMBL479759 0.69 CYP11B1 (0.40) MAPK1LMNAPSEN1PSEN2APH1B
SCHEMBL14585859 0.67 KMT2A (0.42) ROCK2ROCK1DYRK1AMAPK1PSEN1
SCHEMBL480088 0.67 ROCK2 (0.42) TYK2JAK2ROCK2ROCK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 TYK2 3431/4885JAK2 1526/4885ROCK2 1002/4885

“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.