Sugi Predict

Sugi Predict / Compounds / SCHEMBL10164830

SCHEMBL10164830

SCHEMBL10164830

COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1OCCN1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 8/20 0.51
▸ PTPN11 Q06124 1/20 0.40
▸ MAP4K1 Q92918 4/20 0.40
▸ KIT P10721 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.39
▸ TNIK Q9UKE5 2/20 0.38
▸ PRKAB2 O43741 2/20 0.38
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA2 P54646 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ PRKAG3 Q9UGI9 2/20 0.38
▸ PRKAG2 Q9UGJ0 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ SGK1 O00141 1/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ NTRK1 P04629 1/20 0.38

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
SCHEMBL7899789 0.85 PTPN11 (0.40) MAP3K11PTPN11MAP4K1KITPRKAB2
SCHEMBL7514195 0.84 MAP3K11 (0.60) MAP3K11PTPN11LRRK2TNIKPRKAB2
SCHEMBL15165535 0.84 MAP3K11 (0.49) MAP3K11PTPN11MAP4K1LRRK2TNIK
SCHEMBL7899740 0.83 MAP3K11 (0.56) MAP3K11PTPN11MAP4K1KITLRRK2
SCHEMBL7517481 0.82 PTPN11 (0.49) MAP3K11PTPN11MAP4K1KITLRRK2
SCHEMBL721560 0.79 MAP3K11 (0.71) MAP3K11MAP4K1KITLRRK2TNIK
SCHEMBL15165531 0.78 MAP3K11 (0.52) MAP3K11PTPN11LRRK2TNIKPRKAB2
SCHEMBL15165532 0.78 PTPN11 (0.46) MAP3K11PTPN11LRRK2TGFBR1PRKCQ
SCHEMBL15165537 0.78 MAP3K11 (0.51) MAP3K11PTPN11LRRK2TNIKPRKAB2
SCHEMBL31396533 0.78 MAP3K11 (0.49) MAP3K11PTPN11MAP4K1LRRK2TNIK

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 25 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
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
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-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 — — US disclosed
US-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 — — US disclosed
US-8877772-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors UNIVERSITY OF ROCHESTER (US) 2014-11-04 — — 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

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 23/4885PTPN11 1375/4885MAP4K1 19/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB MAP3K11 45/4885PTPN11 1949/4885MAP4K1 41/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885PTPN11 1375/4885MAP4K1 19/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 MAP3K11 23/4885PTPN11 1375/4885MAP4K1 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.