SCHEMBL721560

SCHEMBL721560

COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)ccc1OCCN1CCNCC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 11/20 0.71
LRRK2 Q5S007 2/20 0.63
KIT P10721 2/20 0.61
MAP4K1 Q92918 7/20 0.59
IL2 P60568 4/20 0.59
SGK1 O00141 1/20 0.57
IKBKB O14920 1/20 0.57
AURKA O14965 1/20 0.57
CHUK O15111 1/20 0.57
PRKAB2 O43741 1/20 0.57
ROCK2 O75116 1/20 0.57
ABL1 P00519 1/20 0.57
NTRK1 P04629 1/20 0.57
INSR P06213 1/20 0.57
LCK P06239 1/20 0.57
CDK1 P06493 1/20 0.57
IGF1R P08069 1/20 0.57
MET P08581 1/20 0.57
CYP3A4 P08684 1/20 0.57
SRC P12931 1/20 0.57

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
SCHEMBL2531824 0.90 MAP3K11 (0.56) MAP3K11LRRK2KITMAP4K1IL2
SCHEMBL720862 0.84 MAP3K11 (1.00) MAP3K11LRRK2KITCYP3A4DYRK1A
SCHEMBL12763551 0.84 KIT (0.61) KITMAP4K1IL2DYRK1A
SCHEMBL7905848 0.83 KIT (0.60) KITMAP4K1IL2DYRK1A
SCHEMBL722517 0.83 MAP3K11 (0.79) MAP3K11LRRK2KITNTRK1CYP3A4
SCHEMBL7509836 0.81 MAP3K11 (0.75) MAP3K11LRRK2MAP4K1IL2SGK1
SCHEMBL724259 0.80 MAP3K11 (0.83) MAP3K11LRRK2KITNTRK1CYP3A4
SCHEMBL15154858 0.79 MAP3K11 (1.00) MAP3K11LRRK2SGK1IKBKBAURKA
SCHEMBL10164830 0.79 MAP3K11 (0.51) MAP3K11LRRK2KITMAP4K1IL2
SCHEMBL722011 0.78 KIT (0.56) MAP3K11LRRK2KITMAP4K1IL2

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
US-9814704-B2 Substituted pyrrolo[2,3-b]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2017-11-14 US claimed
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER 2016-11-03 US claimed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 US 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-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
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
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

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 23/4885LRRK2 397/4885KIT 641/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885LRRK2 400/4885KIT 774/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885LRRK2 397/4885KIT 641/4885

“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.