SCHEMBL7877100

SCHEMBL7877100

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 10/20 1.00
MAPK8 P45983 8/20 1.00
IRAK4 Q9NWZ3 4/20 0.70
CDK2 P24941 7/20 0.63
MAPK10 P53779 6/20 0.63
JUN P05412 1/20 0.63
IGF1R P08069 2/20 0.54
CDK1 P06493 2/20 0.50
CDK4 P11802 2/20 0.50
CCNB1 P14635 1/20 0.50
CCND1 P24385 1/20 0.50
CCNE1 P24864 1/20 0.50
DYRK1A Q13627 1/20 0.49

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
SCHEMBL183113 1.00 MAPK9 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL183898 0.84 MAPK8 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL7888011 0.84 MAPK8 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL6039664 0.83 MAPK9 (0.72) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL31500989 0.82 MAPK8 (0.70) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL22228781 0.82 MAPK8 (0.70) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL22228780 0.82 MAPK8 (0.70) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL18427775 0.82 IRAK4 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL7887171 0.81 MAPK9 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10
SCHEMBL15344630 0.81 MAPK9 (1.00) MAPK9MAPK8IRAK4CDK2MAPK10

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 MAPK9 15/4885MAPK8 11/4885IRAK4 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.