SCHEMBL1487601

SCHEMBL1487601

N#Cc1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.41
HTR6 P50406 4/20 0.39
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 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
PTGER4 P35408 1/20 0.35
CDK8 P49336 1/20 0.35
PIK3C3 Q8NEB9 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
SCHEMBL1487554 0.84 BRD4 (0.42) BRD4HTR6PTPN11ALDH1A1CYP1A2
SCHEMBL8321386 0.80 BRD4 (0.44) BRD4HTR6PTPN11ALDH1A1CYP1A2
SCHEMBL8325111 0.80 BRD4 (0.44) BRD4HTR6PTPN11CYP2C19CA12
SCHEMBL1044745 0.79 BRD4 (0.55) BRD4HTR6CYP2C19PTGER4CYP2C9
SCHEMBL13746023 0.79 BRD4 (0.45) BRD4HTR6PTPN11CA12CA1
SCHEMBL1487581 0.79 BRD4 (0.43) BRD4HTR6PTPN11ALDH1A1CYP1A2
SCHEMBL1487552 0.78 PTPN11 (0.47) BRD4HTR6PTPN11CA12CA1
SCHEMBL2753498 0.78 PDPK1 (0.49) BRD4HTR6PTPN11CDK8IMPDH2
SCHEMBL1487551 0.77 BRD4 (0.42) BRD4HTR6PTPN11CA12CA1
SCHEMBL14031024 0.76 IMPDH2 (0.47) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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 8 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-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-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 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.