SCHEMBL721044

SCHEMBL721044

COc1cc(-c2cnc3c(c2)c(I)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
PTPN11 Q06124 1/20 0.43
FYN P06241 1/20 0.41
ACVR1 Q04771 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KIT P10721 2/20 0.39
MAPT P10636 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAP3K11 Q16584 3/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAP4K1 Q92918 1/20 0.37
LRRK2 Q5S007 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL10165243 0.90 BRD4 (0.49) BRD4PTPN11ACVR1KITMAPT
SCHEMBL17282544 0.87 BRD4 (0.50) BRD4PTPN11KITMAPTMAP4K1
SCHEMBL15556465 0.85 BRD4 (0.49) BRD4PTPN11ACVR1KITMAPT
SCHEMBL1850782 0.83 BRD4 (0.64) BRD4PTPN11MAPTALDH1A1KDM4E
SCHEMBL29086638 0.82 BRD4 (0.43) BRD4PTPN11ALDH1A1KMT2AMEN1
SCHEMBL15555565 0.82 BRD4 (0.46) BRD4PTPN11MAPTKMT2ACYP3A4
SCHEMBL15555568 0.82 BRD4 (0.46) BRD4PTPN11KITMAP4K1POLB
SCHEMBL2279727 0.82 JAK2 (0.44) BRD4ACVR1MAPTALDH1A1KDM4E
SCHEMBL15556952 0.82 BRD4 (0.44) BRD4PTPN11FYNACVR1KIT
SCHEMBL1372485 0.82 BRD4 (0.49) BRD4PTPN11MAPTALDH1A1KDM4E

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925319-B1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIV ROCHESTER (US) 2019-01-09 EP disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US disclosed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US disclosed
EP-3037421-A1 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2016-06-29 EP disclosed
EP-3037421-A1 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2016-06-29 EP disclosed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US disclosed
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-01-28 US disclosed
US-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
EP-2379561-A2 MLK INHIBITORS AND METHODS OF USE University Of Rochester (US) 2011-10-26 EP disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 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 (4 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-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 BRD4 806/4885PTPN11 1375/4885FYN 567/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB BRD4 583/4885PTPN11 1949/4885FYN 394/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 BRD4 806/4885PTPN11 1375/4885FYN 567/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 BRD4 806/4885PTPN11 1375/4885FYN 567/4885

“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.