SCHEMBL1487585

SCHEMBL1487585

CN(C)c1ccc(-c2cnc3c(c2)c(-c2c[nH]cn2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.42
BRD4 O60885 5/20 0.41
PDPK1 O15530 1/20 0.40
HTR6 P50406 8/20 0.39
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
AURKA O14965 1/20 0.36
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
MMP8 P22894 2/20 0.33
HTR1A P08908 1/20 0.33
MMP3 P08254 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL13746279 0.84 MAPK8 (0.53) PTPN11BRD4PDPK1HTR6MAPK8
SCHEMBL13745784 0.83 PTPN11 (0.45) PTPN11BRD4PDPK1HTR6AURKA
SCHEMBL13745575 0.81 PTPN11 (0.42) PTPN11BRD4PDPK1HTR6MAPK8
SCHEMBL13745675 0.81 PTPN11 (0.45) PTPN11BRD4PDPK1HTR6AURKA
SCHEMBL1487552 0.81 PTPN11 (0.47) PTPN11BRD4PDPK1HTR6AURKA
SCHEMBL14031073 0.81 MAPK8 (0.43) MAPK8MAPK9MAPK10AURKA
SCHEMBL13746221 0.80 BRD4 (0.44) PTPN11BRD4PDPK1HTR6MAPK8
SCHEMBL13745614 0.80 PTPN11 (0.47) PTPN11BRD4PDPK1HTR6AURKA
SCHEMBL13746014 0.80 PTPN11 (0.45) PTPN11BRD4PDPK1HTR6CA12
SCHEMBL13745782 0.80 PTPN11 (0.43) PTPN11BRD4PDPK1HTR6AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295433-A2 JNK inhibitors Eisai R&D Management Co., Ltd. (JP) 2011-03-16 EP disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-20090215771-A1 JNK INHIBITORS GRACZYK PIOTR 2009-08-27 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
US-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed
EP-1599475-A2 JNK INHIBITORS Eisai Co., Ltd. (JP) 2005-11-30 EP disclosed
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 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-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 PTPN11 1694/4885BRD4 1339/4885PDPK1 279/4885

“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.