SCHEMBL183662

SCHEMBL183662

CC(C)(O)c1cccn2c(Br)cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 4/20 0.42
HSD11B1 P28845 1/20 0.40
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
KMT2A Q03164 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL14194000 0.87 ALDH1A1 (0.33) MAPK9GABRA1KDM4EMEN1NPC1
SCHEMBL23104611 0.80 USP7 (0.40) HSD11B1GABRA1GABRG2GABRB3GABRA3
SCHEMBL2659705 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3
SCHEMBL22200842 0.74 HDAC8 (0.45) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL12775875 0.73 KDM4E (0.33) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL183868 0.71 MAPK9 (0.54) MAPK9KDM4EALDH1A1
SCHEMBL5777594 0.70 PRMT5 (0.39) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL25245121 0.70 HDAC8 (0.45) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL19748096 0.70 KDM4E (0.57) KDM4EMEN1NPC1ALDH1A1MAPT
SCHEMBL23104566 0.70 PIK3CA (0.38)

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
CN-102325771-A Imidazo [1,2-A ] pyridines as JNK modulators HOFFMANN LA ROCHE 2012-01-18 CN 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 MAPK9 15/4885HSD11B1 972/4885GABRA1 1781/4885

“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.