SCHEMBL1487552

SCHEMBL1487552

CN(C)c1ccc(-c2cnc3c(c2)c(-c2ccoc2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.47
BRD4 O60885 5/20 0.44
CDK8 P49336 1/20 0.41
HTR6 P50406 6/20 0.38
AURKA O14965 1/20 0.37
PDPK1 O15530 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
IMPDH2 P12268 1/20 0.34
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL13745614 0.88 PTPN11 (0.47) PTPN11BRD4HTR6AURKAPDPK1
SCHEMBL13745570 0.85 PTPN11 (0.44) PTPN11BRD4CDK8HTR6AURKA
SCHEMBL13745784 0.85 PTPN11 (0.45) PTPN11BRD4HTR6AURKAPDPK1
SCHEMBL13745675 0.85 PTPN11 (0.45) PTPN11BRD4HTR6AURKAPDPK1
SCHEMBL13746014 0.84 PTPN11 (0.45) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL13746279 0.84 MAPK8 (0.53) PTPN11BRD4HTR6AURKAPDPK1
SCHEMBL13746023 0.83 BRD4 (0.45) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL2753498 0.83 PDPK1 (0.49) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL13746221 0.82 BRD4 (0.44) PTPN11BRD4HTR6AURKAPDPK1
SCHEMBL13745782 0.82 PTPN11 (0.43) PTPN11BRD4CDK8HTR6AURKA

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-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

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 PTPN11 1642/4885BRD4 1384/4885CDK8 362/4885
US-20090215771-A1 JNK INHIBITORS MAPKAPK2, MAPK1, MAPKAPK3 PTPN11 1694/4885BRD4 1339/4885CDK8 360/4885

“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.