SCHEMBL723009

SCHEMBL723009

CN1CCN(Cc2cccc(-c3cnc4[nH]cc(-c5ccc(C(N)=O)cc5)c4c3)c2)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.83
TNIK Q9UKE5 12/20 0.68
CAMKK2 Q96RR4 1/20 0.61
CDC7 O00311 1/20 0.59
PLK4 O00444 1/20 0.59
CHEK1 O14757 1/20 0.59
AURKA O14965 1/20 0.59
MAPK13 O15264 1/20 0.59
PDPK1 O15530 1/20 0.59
DYRK3 O43781 1/20 0.59
ROCK2 O75116 1/20 0.59
RPS6KA5 O75582 1/20 0.59
PRKD3 O94806 1/20 0.59
PAK4 O96013 1/20 0.59
CHEK2 O96017 1/20 0.59
ABL1 P00519 1/20 0.59
EGFR P00533 1/20 0.59
NTRK1 P04629 1/20 0.59
INSR P06213 1/20 0.59
LCK P06239 1/20 0.59

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
SCHEMBL28050358 0.93 MAP3K11 (0.72) MAP3K11TNIKCAMKK2CDC7PLK4
SCHEMBL723895 0.91 MAP3K11 (1.00) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL722116 0.91 MAP3K11 (1.00) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL15154839 0.89 MAP3K11 (0.85) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL12067580 0.87 TNIK (0.72) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL31089792 0.84 TNIK (0.86) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL31352939 0.84 TNIK (0.80) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL28050402 0.84 MAP3K11 (0.86) MAP3K11TNIKABL1INSRCDK2
SCHEMBL22971589 0.83 MAP3K11 (0.84) MAP3K11TNIKAURKAROCK2ABL1
SCHEMBL22971608 0.82 TNIK (0.84) MAP3K11TNIKAURKAROCK2ABL1

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 37 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-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
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
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 23/4885TNIK 178/4885CAMKK2 34/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885TNIK 314/4885CAMKK2 27/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885TNIK 178/4885CAMKK2 34/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885TNIK 178/4885CAMKK2 34/4885

“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.