SCHEMBL1487598

SCHEMBL1487598

CN(C)c1ccc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.61
HTR6 P50406 6/20 0.42
PTPN11 Q06124 1/20 0.41
AURKA O14965 1/20 0.38
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
MET P08581 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL8321863 0.89 BRD4 (0.61) BRD4HTR6PTPN11RXFP1PDPK1
SCHEMBL1799967 0.89 BRD4 (0.67) BRD4HTR6PTPN11METPDPK1
SCHEMBL13746307 0.85 BRD4 (0.61) BRD4HTR6PTPN11ALDH1A1MAPT
SCHEMBL13745697 0.85 BRD4 (0.61) BRD4HTR6PTPN11AURKAALDH1A1
SCHEMBL4203368 0.84 BRD4 (0.44) BRD4HTR6PTPN11AURKAMMP8
SCHEMBL2179991 0.83 BRD4 (0.50) BRD4HTR6PTPN11ALDH1A1MAPT
SCHEMBL1850782 0.83 BRD4 (0.64) BRD4HTR6PTPN11ALDH1A1MAPT
SCHEMBL13746221 0.83 BRD4 (0.44) BRD4HTR6PTPN11AURKAMMP8
SCHEMBL13745848 0.83 BRD4 (0.58) BRD4HTR6PTPN11
SCHEMBL13745784 0.82 PTPN11 (0.45) BRD4HTR6PTPN11AURKAMMP8

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
US-20060270646-A1 Jnk inhibitors EISAI CO., LTD. (JP) 2006-11-30 US 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 (2 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-20060270646-A1 Jnk inhibitors MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1384/4885HTR6 2354/4885PTPN11 1642/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 BRD4 1339/4885HTR6 2381/4885PTPN11 1694/4885

“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.