SCHEMBL2179991

SCHEMBL2179991

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
RAB9A P51151 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR6 P50406 5/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CNR2 P34972 2/20 0.37
PTPN11 Q06124 1/20 0.35
TNF P01375 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL1487598 0.83 BRD4 (0.61) BRD4MEN1KMT2ARXFP1HTR6
SCHEMBL2180777 0.82 PTPN11 (0.41) BRD4RAB9AHPGDNPC1MEN1
SCHEMBL1082937 0.80 BRD4 (0.54) BRD4RAB9AHPGDNPC1MEN1
SCHEMBL2179100 0.78 BRD4 (0.54) BRD4RAB9ANPC1KMT2AMAPT
SCHEMBL1584935 0.77 BRD4 (0.51) BRD4MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1050312 0.76 BRD4 (0.64) BRD4HTR6PTPN11SMN1; SMN2LMNA
SCHEMBL1049641 0.76 BRD4 (0.56) BRD4HTR6SMN1; SMN2LMNA
SCHEMBL20292849 0.76 PTPN11 (0.52) BRD4RAB9APTPN11POLBHTT
SCHEMBL8321863 0.75 BRD4 (0.61) BRD4RAB9ANPC1RXFP1HTR6
SCHEMBL12410829 0.75 HPGD (0.40) RAB9AHPGDNPC1MEN1KMT2A

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
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
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
EP-1720871-A1 3,5-DISUBSTITUTED 1H-PYRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS Eisai London Research Laboratories Limited (GB) 2006-11-15 EP disclosed
WO-2005085244-A1 3,5-DISUBSTITUTED 1H-PZRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI LONDON RESEARCH LABORATORIES LIMITED (GB) 2005-09-15 WO disclosed
WO-2005085244-A1 3,5-DISUBSTITUTED 1H-PZRROLO [2,3-B] PYRIDINES AS JNK INHIBITORS EISAI LONDON RESEARCH LABORATORIES LIMITED (GB) 2005-09-15 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 (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 BRD4 535/4885RAB9A 2873/4885HPGD 981/4885

“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.