SCHEMBL721017

SCHEMBL721017

COc1cc(-c2cnc3[nH]cc(-c4ccc(F)cc4)c3c2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 7/20 1.00
KIT P10721 9/20 0.78
LRRK2 Q5S007 2/20 0.73
DYRK1A Q13627 2/20 0.66
AAK1 Q2M2I8 1/20 0.64
SLC2A1 P11166 1/20 0.63

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
SCHEMBL17200869 0.89 KIT (0.91) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL723899 0.88 MAP3K11 (0.81) MAP3K11KITLRRK2DYRK1AAAK1
SCHEMBL8941707 0.87 KIT (1.00) MAP3K11KITDYRK1AAAK1SLC2A1
SCHEMBL720896 0.85 MAP3K11 (1.00) MAP3K11KITLRRK2DYRK1A
SCHEMBL17211641 0.84 MAP3K11 (0.72) MAP3K11KITLRRK2DYRK1AAAK1
SCHEMBL3768155 0.84 MAP3K11 (0.72) MAP3K11KITLRRK2DYRK1AAAK1
SCHEMBL719848 0.84 MAP3K11 (1.00) MAP3K11KITLRRK2DYRK1AAAK1
SCHEMBL8941722 0.84 KIT (0.74) MAP3K11KITDYRK1A
SCHEMBL720821 0.83 MAP3K11 (0.79) MAP3K11KITLRRK2DYRK1AAAK1
SCHEMBL8941778 0.83 DYRK1A (0.77) MAP3K11KITDYRK1A

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 36 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-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
CN-103153994-A Bicyclic heteroaryl kinase inhibitors and methods of use UNIV ROCHESTER 2013-06-12 CN 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
CN-102264743-A Mlk inhibitors and methods of use 2011-11-30 CN 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 MAP3K11 23/4885KIT 641/4885LRRK2 397/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885KIT 641/4885LRRK2 397/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885KIT 641/4885LRRK2 397/4885

“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.