SCHEMBL722601

SCHEMBL722601

COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3n2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 12/20 0.58
LRRK2 Q5S007 3/20 0.57
MAP4K1 Q92918 1/20 0.52
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.49
ATR Q13535 1/20 0.48
MAPK1 P28482 2/20 0.47
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
KIT P10721 1/20 0.44
PRKCQ Q04759 1/20 0.44
AAK1 Q2M2I8 1/20 0.43

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
SCHEMBL28795819 0.92 MAP3K11 (0.58) MAP3K11LRRK2MAP4K1CYP3A4CYP2D6
SCHEMBL719706 0.91 MAP3K11 (0.70) MAP3K11LRRK2MAP4K1MAPK1DYRK1A
SCHEMBL720152 0.89 MAP3K11 (0.70) MAP3K11LRRK2MAP4K1CYP3A4CYP2D6
SCHEMBL724259 0.84 MAP3K11 (0.83) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL12343686 0.83 MAP3K11 (0.55) MAP3K11LRRK2MAP4K1CYP3A4CYP2D6
SCHEMBL7908343 0.79 MAP4K1 (0.54) MAP3K11MAP4K1MAPK1KITAAK1
SCHEMBL12343682 0.79 MAP3K11 (0.63) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL722011 0.77 KIT (0.56) MAP3K11LRRK2MAP4K1MAPK1KIT
SCHEMBL2526092 0.77 MAP3K11 (0.60) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL10141821 0.76 MAP3K11 (0.49) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379561-B1 MLK INHIBITORS AND METHODS OF USE UNIV ROCHESTER (US) 2015-11-04 EP claimed
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-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
US-8846909-B2 Bicyclic heteroaryl kinase inhibitors and methods of use UNIVERSITY OF ROCHESTER (US) 2014-09-30 US disclosed
WO-2014085795-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES UNIVERSITY OF ROCHESTER (US) 2014-06-05 WO 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
CN-103153994-A Bicyclic heteroaryl kinase inhibitors and methods of use UNIV ROCHESTER 2013-06-12 CN 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
CN-102264743-A Mlk inhibitors and methods of use 2011-11-30 CN 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 MAP3K11 23/4885LRRK2 397/4885MAP4K1 19/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885LRRK2 400/4885MAP4K1 41/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885MAP4K1 19/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885MAP4K1 19/4885

“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.