SCHEMBL1357263

SCHEMBL1357263

Cc1ccc(S(=O)(=O)n2ccc3c(I)c(Cl)cnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
BRD4 O60885 6/20 0.44
HTT P42858 3/20 0.42
POLB P06746 2/20 0.42
ALDH3A1 P30838 1/20 0.42
NOD1 Q9Y239 1/20 0.42
PKM P14618 3/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD11B1 P28845 1/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR6 P50406 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL1356064 0.87 L3MBTL1 (0.51) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL1718205 0.85 L3MBTL1 (0.49) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL10125541 0.85 L3MBTL1 (0.49) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL1565879 0.85 L3MBTL1 (0.49) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL1356125 0.85 L3MBTL1 (0.49) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL12346661 0.82 L3MBTL1 (0.47) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL16052697 0.82 L3MBTL1 (0.51) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL30509477 0.82 L3MBTL1 (0.51) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL28072739 0.81 L3MBTL1 (0.46) L3MBTL1BRD4HTTPOLBALDH3A1
SCHEMBL29634511 0.80 L3MBTL1 (0.59) L3MBTL1BRD4HTTPOLBALDH3A1

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
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
US-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2016-03-03 US disclosed
EP-2970278-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS AbbVie Inc. (US) 2016-01-20 EP disclosed
WO-2014139328-A1 PYRROLO[2,3-B]PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 WO disclosed
EP-2569316-B1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBVIE INC (US) 2014-04-23 EP disclosed
EP-2569316-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-03-20 EP disclosed
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 US disclosed
WO-2011143459-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-11-17 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 (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-20160060257-A1 PYRROLO [2,3-B] PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK3 L3MBTL1 1999/4885BRD4 270/4885HTT 4362/4885
US-20110281842-A1 PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE INHIBITORS OF KINASES AURKA, AURKC, AURKB L3MBTL1 2273/4885BRD4 472/4885HTT 3562/4885

“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.