SCHEMBL2181071

SCHEMBL2181071

CCOC(=O)c1cnc2c(c1)c(-c1ccoc1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.47
PTPN11 Q06124 2/20 0.46
PIK3C3 Q8NEB9 1/20 0.41
BRD4 O60885 3/20 0.41
P2RY12 Q9H244 3/20 0.39
JMJD6 Q6NYC1 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
STAT1 P42224 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL13746609 0.90 PTPN11 (0.43) PDPK1PTPN11PIK3C3BRD4ALDH1A1
Hydrochloric Acid SCHEMBL1487920 0.89 PTPN11 (0.42) PDPK1PTPN11PIK3C3BRD4ALDH1A1
SCHEMBL2179100 0.82 BRD4 (0.54) PDPK1PTPN11PIK3C3BRD4P2RY12
SCHEMBL12410748 0.81 PTPN11 (0.43) PTPN11JMJD6NPC1RAB9ASMN1; SMN2
SCHEMBL1487554 0.78 BRD4 (0.42) PTPN11PIK3C3BRD4ALDH1A1HSD17B10
SCHEMBL12410738 0.78 JMJD6 (0.37) PTPN11P2RY12JMJD6NPC1RAB9A
SCHEMBL13746240 0.77 PTPN11 (0.53) PDPK1PTPN11PIK3C3BRD4GBA1
SCHEMBL8321386 0.77 BRD4 (0.44) PDPK1PTPN11BRD4ALDH1A1HSD17B10
SCHEMBL2753498 0.77 PDPK1 (0.49) PDPK1PTPN11BRD4
SCHEMBL13669264 0.77 PTPN11 (0.50) PDPK1PTPN11NPC1RAB9ASMN1; SMN2

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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI CO., LTD. (JP) 2011-07-07 US disclosed
EP-1720871-B1 3,5-DISUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI R&D MAN CO LTD (JP) 2010-05-19 EP 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-20110166173-A1 3,5-DISUBSTUTUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS API5, CDK5, MAPKAPK5 PDPK1 85/4885PTPN11 894/4885PIK3C3 2040/4885

“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.