SCHEMBL181300

SCHEMBL181300

CN(C)S(=O)(=O)NC1CCC(N)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.42
CA2 P00918 8/20 0.42
ACHE P22303 6/20 0.42
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
SMYD3 Q9H7B4 2/20 0.38
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
DRD2 P14416 4/20 0.33
HTR2A P28223 4/20 0.33
DRD3 P35462 4/20 0.33
KIT P10721 1/20 0.33
G6PD P11413 1/20 0.32

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
SCHEMBL11137690 0.78 CA1 (0.56) CA1CA2ACHECA12CA7
SCHEMBL31195376 0.76 CA1 (0.40) CA1CA2ACHECA12CA7
SCHEMBL1346986 0.76 CA12 (0.46) CA1CA2CA12CA7CA14
SCHEMBL181007 0.76 CA12 (0.46) CA1CA2CA12CA7CA14
SCHEMBL1950933 0.76 CA12 (0.46) CA1CA2CA12CA7CA14
SCHEMBL3220451 0.75 CA1 (0.45) CA1CA2ACHECA12CA7
SCHEMBL4361760 0.75 CA1 (0.42) CA1CA2ACHECA12CA7
Hydrochloric Acid SCHEMBL5006769 0.74 CA12 (0.44) CA1CA2CA12CA7CA14
Hydrochloric Acid SCHEMBL1226560 0.74 CA12 (0.44) CA1CA2CA12CA7CA14
SCHEMBL12764009 0.72 SMYD3 (0.46) CA1CA2CA12CA7CA14

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-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
EP-2401274-A1 IMIDAZO [1, 2 -A]PYRIDINES AS JNK MODULATORS F. Hoffmann-La Roche AG (CH) 2012-01-04 EP 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 CA1 4363/4885CA2 2285/4885ACHE 4680/4885

“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.