Sugi Predict

Sugi Predict / Compounds / SCHEMBL720820

SCHEMBL720820

SCHEMBL720820

CN(C)c1ccc(-c2cnc3[nH]cc(-c4ccc(N(C)C)nc4)c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 3/20 1.00
▸ DYRK1A Q13627 5/20 0.61
▸ CLK1 P49759 2/20 0.61
▸ DYRK2 Q92630 2/20 0.61
▸ DYRK1B Q9Y463 2/20 0.61
▸ TDO2 P48775 1/20 0.60
▸ MAPK8 P45983 1/20 0.60
▸ MAPK9 P45984 1/20 0.60
▸ MAPK10 P53779 1/20 0.60
▸ AXL P30530 3/20 0.56
▸ CDK8 P49336 1/20 0.56
▸ TNIK Q9UKE5 1/20 0.56
▸ KIT P10721 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ SGK1 O00141 2/20 0.53
▸ CAMKK2 Q96RR4 1/20 0.52

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
SCHEMBL8313453 0.90 MAP3K11 (0.81) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL8320544 0.87 MAP3K11 (0.78) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL721195 0.86 MAP3K11 (1.00) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL720833 0.86 MAP3K11 (0.74) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL723916 0.86 MAP3K11 (0.74) MAP3K11DYRK1AKIT
SCHEMBL7906025 0.83 MAP3K11 (0.69) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL1603480 0.81 PDPK1 (0.79) MAP3K11
SCHEMBL8314585 0.80 MAP3K11 (0.64) MAP3K11MAPK8MAPK9MAPK10AXL
SCHEMBL13620697 0.77 AXL (0.76) MAP3K11DYRK1ACLK1DYRK2DYRK1B
SCHEMBL3770371 0.76 DYRK1A (1.00) DYRK1ACLK1DYRK2DYRK1BAXL

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 29 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
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 — — 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
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-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 23/4885DYRK1A 339/4885CLK1 41/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885DYRK1A 349/4885CLK1 75/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885DYRK1A 339/4885CLK1 41/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885DYRK1A 339/4885CLK1 41/4885

“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.