SCHEMBL720887

SCHEMBL720887

COc1cc(-c2cnc3[nH]ccc3c2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 1.00
MAP3K11 Q16584 6/20 0.62
LRRK2 Q5S007 2/20 0.62
CDK8 P49336 2/20 0.56
AXL P30530 1/20 0.56
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIK3CB P42338 1/20 0.55
PIK3CG P48736 1/20 0.55
KIT P10721 1/20 0.54
RIPK1 Q13546 2/20 0.54
FGFR1 P11362 1/20 0.51
KDR P35968 1/20 0.51
ALOX5AP P20292 1/20 0.51
FEN1 P39748 1/20 0.51
TNIK Q9UKE5 1/20 0.51
GAK O14976 1/20 0.50

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
SCHEMBL31107378 0.85 BRD4 (0.74) BRD4MAP3K11LRRK2CDK8AXL
SCHEMBL858100 0.85 BRD4 (0.74) BRD4MAP3K11LRRK2CDK8AXL
SCHEMBL4831501 0.80 CDK8 (0.81) BRD4LRRK2CDK8AXLPIK3CD
SCHEMBL415161 0.80 BRD4 (0.67) BRD4LRRK2CDK8AXLPIK3CD
SCHEMBL7981608 0.80 BRD4 (0.67) BRD4FGFR1KDR
SCHEMBL30173311 0.79 BRD4 (0.65) BRD4MAP3K11LRRK2CDK8AXL
SCHEMBL12127570 0.79 BRD4 (0.65) BRD4CDK8AXLPIK3CDPIK3CA
SCHEMBL28502161 0.79 BRD4 (0.64) BRD4MAP3K11LRRK2CDK8AXL
SCHEMBL14620778 0.78 BRD4 (0.63) BRD4MAP3K11LRRK2CDK8AXL
SCHEMBL414175 0.78 BRD4 (0.63) BRD4MAP3K11LRRK2CDK8AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050075-B Biaryl ring BET inhibitor and synthetic method and application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117050075-A Biaryl ring BET inhibitor and synthetic method and application thereof 中国药科大学 2023-11-14 CN disclosed
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
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 (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-20120053175-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 BRD4 806/4885MAP3K11 23/4885LRRK2 397/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 BRD4 806/4885MAP3K11 23/4885LRRK2 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.