SCHEMBL7888011

SCHEMBL7888011

O[C@H]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 9/20 1.00
MAPK9 P45984 9/20 1.00
IRAK4 Q9NWZ3 7/20 0.77
MAPK10 P53779 6/20 0.70
CDK2 P24941 4/20 0.66
JUN P05412 1/20 0.66
IGF1R P08069 2/20 0.52
DYRK1A Q13627 1/20 0.51
FLT3 P36888 1/20 0.51

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
SCHEMBL183898 1.00 MAPK8 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL18427775 0.87 IRAK4 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL183113 0.84 MAPK9 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL7877100 0.84 MAPK9 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL8191666 0.82 MAPK8 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL5102543 0.82 MAPK8 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL22228836 0.81 MAPK8 (0.67) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL22228838 0.81 MAPK8 (0.67) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL6039664 0.80 MAPK9 (0.72) MAPK8MAPK9IRAK4MAPK10CDK2
SCHEMBL21067872 0.80 MAPK10 (1.00) MAPK8MAPK9IRAK4MAPK10CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401274-B1 IMIDAZO[1,2-A]PYRIDINES AS JNK MODULATORS HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 US disclosed
US-8569306-B2 JNK modulators HOFFMANN-LA ROCHE, INC. (US) 2013-10-29 US disclosed
US-20110306618-A1 JNK Modulators BUETTELMANN BERND (DE) 2011-12-15 US disclosed
US-20110306618-A1 JNK Modulators BUETTELMANN BERND (DE) 2011-12-15 US disclosed
WO-2010097335-A1 IMIDAZO [1, 2 -A] PYRIDINES AS JNK MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-02 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 (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-20110306618-A1 JNK Modulators MAPK3, MAPK1, MAPK4 MAPK8 11/4885MAPK9 15/4885IRAK4 1050/4885

“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.