SCHEMBL721270

SCHEMBL721270

CNC(=O)c1ccc(-c2cn(S(=O)(=O)c3ccc(C)cc3)c3ncc(Br)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.54
▸ ENPP3 O14638 1/20 0.41
▸ ENPP1 P22413 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ CA2 P00918 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
SCHEMBL31396616 0.89 PTPN11 (0.53) PTPN11ENPP3ENPP1L3MBTL1MEN1
SCHEMBL720603 0.88 PTPN11 (0.55) PTPN11ENPP3ENPP1L3MBTL1PDE4A
SCHEMBL30215940 0.86 PTPN11 (0.54) PTPN11ENPP3ENPP1L3MBTL1PDE4A
SCHEMBL1516664 0.86 PTPN11 (0.52) PTPN11ENPP3ENPP1L3MBTL1MEN1
SCHEMBL31396522 0.85 PTPN11 (0.54) PTPN11L3MBTL1KMT2APTGDR2CA2
SCHEMBL31344454 0.85 PTPN11 (0.50) PTPN11ENPP3ENPP1L3MBTL1MEN1
SCHEMBL720190 0.84 PTPN11 (0.49) PTPN11ENPP3ENPP1L3MBTL1MEN1
SCHEMBL31396553 0.84 PTPN11 (0.54) PTPN11ENPP3ENPP1L3MBTL1PDE4D
SCHEMBL31396517 0.84 PTPN11 (0.49) PTPN11ENPP3ENPP1L3MBTL1MEN1
SCHEMBL23247251 0.84 L3MBTL1 (0.58) PTPN11ENPP3ENPP1L3MBTL1MEN1

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 45 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
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-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
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-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
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 (3 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 PTPN11 1375/4885ENPP3 1065/4885ENPP1 899/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB PTPN11 1949/4885ENPP3 1081/4885ENPP1 958/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 PTPN11 1375/4885ENPP3 1065/4885ENPP1 899/4885

“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.

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