SCHEMBL724011

SCHEMBL724011

Nc1ccc(-c2cnc3[nH]cc(-c4ccc(F)c(Cl)c4)c3c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.67
LRRK2 Q5S007 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 1/20 0.61
KIT P10721 4/20 0.55
DYRK1A Q13627 4/20 0.55
NTRK1 P04629 2/20 0.54
PDPK1 O15530 1/20 0.53
TDO2 P48775 2/20 0.52
CLK1 P49759 2/20 0.50
DYRK2 Q92630 2/20 0.50
DYRK1B Q9Y463 2/20 0.50
CCNT1 O60563 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK9 P50750 1/20 0.50
AXL P30530 1/20 0.49

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
SCHEMBL2529319 0.86 TDO2 (0.62) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL720833 0.83 MAP3K11 (0.74) MAP3K11CYP2C9KITDYRK1ANTRK1
SCHEMBL15799700 0.81 CDK8 (0.62) MAP3K11KITDYRK1ANTRK1CLK1
SCHEMBL722564 0.81 MAP3K11 (1.00) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL12763272 0.81 DYRK1A (0.60) KITDYRK1ACLK1DYRK2DYRK1B
SCHEMBL8319983 0.79 CDK8 (0.65) MAP3K11KITDYRK1ANTRK1CLK1
SCHEMBL723923 0.76 MAP3K11 (1.00) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL3765574 0.75 MAP3K11 (0.82) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL721197 0.75 MAP3K11 (1.00) MAP3K11LRRK2CYP3A4CYP2D6CYP2C9
SCHEMBL7908989 0.74 MAP3K11 (0.63) 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 32 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
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
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 (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 397/4885CYP3A4 4315/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885LRRK2 400/4885CYP3A4 2639/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885CYP3A4 4315/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885CYP3A4 4315/4885

“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.