SCHEMBL13745782

SCHEMBL13745782

CN(C)c1ccc(-c2cnc3c(c2)c(-c2cccs2)cn3S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.43
BRD4 O60885 5/20 0.42
CDK8 P49336 1/20 0.41
HTR6 P50406 5/20 0.38
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
HCRTR1 O43613 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL13746221 0.89 BRD4 (0.44) PTPN11BRD4HTR6MAPTALDH1A1
SCHEMBL13745552 0.86 PTPN11 (0.42) PTPN11BRD4HTR6PDPK1AURKA
SCHEMBL13746014 0.85 PTPN11 (0.45) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL13745675 0.82 PTPN11 (0.45) PTPN11BRD4HTR6PDPK1AURKA
SCHEMBL13745784 0.82 PTPN11 (0.45) PTPN11BRD4HTR6PDPK1AURKA
SCHEMBL1487552 0.82 PTPN11 (0.47) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL13746140 0.82 BRD4 (0.43) PTPN11BRD4CDK8HTR6PDPK1
SCHEMBL13746279 0.81 MAPK8 (0.53) PTPN11BRD4HTR6PDPK1AURKA
SCHEMBL13745614 0.81 PTPN11 (0.47) PTPN11BRD4HTR6MAPTALDH1A1
SCHEMBL1487598 0.81 BRD4 (0.61) PTPN11BRD4HTR6MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1339/4885CDK8 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.