SCHEMBL6764771

SCHEMBL6764771

CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(N[C@H]2CC[C@H](C(=O)O)CC2)n1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.82
MAPK9 P45984 15/20 0.82
MAPK10 P53779 15/20 0.82
CIT O14578 1/20 0.80
DAPK3 O43293 1/20 0.80
STK16 O75716 1/20 0.80
PDGFRB P09619 1/20 0.80
EIF2AK2 P19525 1/20 0.80
CDK11B P21127 1/20 0.80
MAPK3 P27361 1/20 0.80
MAPK1 P28482 1/20 0.80
MAPK4 P31152 1/20 0.80
TTK P33981 1/20 0.80
MAP2K4 P45985 1/20 0.80
GSK3A P49840 1/20 0.80
GSK3B P49841 1/20 0.80
CDK7 P50613 1/20 0.80
MAP2K6 P52564 1/20 0.80
DAPK1 P53355 1/20 0.80
LIMK1 P53667 1/20 0.80

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
SCHEMBL5093818 1.00 MAPK8 (0.82) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL7979990 1.00 MAPK8 (0.82) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14175955 0.93 MAPK8 (0.81) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14768196 0.93 MAPK8 (0.81) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14834313 0.93 MAPK8 (0.81) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL6764829 0.93 MAPK8 (0.81) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14834426 0.92 MAPK8 (0.80) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL14176043 0.92 MAPK8 (0.80) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL5102616 0.92 MAPK8 (0.79) MAPK8MAPK9MAPK10CITDAPK3
SCHEMBL5090230 0.92 MAPK8 (0.70) MAPK8MAPK9MAPK10CITDAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
EP-2576559-B1 INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US disclosed
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed
US-8183254-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2012-05-22 US disclosed
US-8183254-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2012-05-22 US disclosed
WO-2011151358-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
US-20110301170-A1 Inhibitors of JNK GONG LEYI (US) 2011-12-08 US disclosed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 US disclosed
WO-2011151357-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
US-20090318484-A1 Inhibitors of JNK ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20090318484-A1 Inhibitors of JNK ROCHE PALO ALTO LLC 2009-12-24 US disclosed
US-20080146565-A1 JNK modulators ROCHE PALO ALTO LLC 2008-06-19 US 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 (4 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-20080146565-A1 JNK modulators MAPKAPK2, MAPKAPK3, MAP3K10 MAPK8 40/4885MAPK9 43/4885MAPK10 31/4885
US-20090318484-A1 Inhibitors of JNK MAPK1, MAP3K6, MAP3K1 MAPK8 36/4885MAPK9 30/4885MAPK10 54/4885
US-20110301170-A1 Inhibitors of JNK MAPK6, MAP3K6, MAPK1 MAPK8 35/4885MAPK9 11/4885MAPK10 29/4885
US-20110301171-A1 Inhibitors of JNK MAPK9, MAP3K9, MAPK1 MAPK8 28/4885MAPK9 1/4885MAPK10 11/4885

“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.