SCHEMBL7517481

SCHEMBL7517481

COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.49
MAP3K11 Q16584 10/20 0.46
LRRK2 Q5S007 3/20 0.44
SCN9A Q15858 1/20 0.38
PRKCQ Q04759 1/20 0.37
MAP4K1 Q92918 1/20 0.37
KIT P10721 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
TGFBR1 P36897 1/20 0.35
DYRK1A Q13627 2/20 0.34
DYRK2 Q92630 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
CLK1 P49759 1/20 0.34

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
SCHEMBL15165536 0.91 PTPN11 (0.51) PTPN11MAP3K11LRRK2CYP3A4CYP2D6
SCHEMBL7899740 0.89 MAP3K11 (0.56) PTPN11MAP3K11LRRK2SCN9APRKCQ
SCHEMBL7516137 0.87 PTPN11 (0.48) PTPN11MAP3K11LRRK2CYP3A4CYP2D6
SCHEMBL30280395 0.86 PTPN11 (0.51) PTPN11MAP3K11LRRK2CYP3A4CYP2D6
SCHEMBL721797 0.86 PTPN11 (0.51) PTPN11MAP3K11LRRK2CYP3A4CYP2D6
SCHEMBL15165532 0.84 PTPN11 (0.46) PTPN11MAP3K11LRRK2SCN9APRKCQ
SCHEMBL15171450 0.84 PTPN11 (0.46) PTPN11MAP3K11LRRK2CYP3A4TGFBR1
SCHEMBL15165535 0.83 MAP3K11 (0.49) PTPN11MAP3K11LRRK2MAP4K1CYP3A4
SCHEMBL7907745 0.82 PTPN11 (0.50) PTPN11MAP3K11LRRK2CYP3A4CYP2D6
SCHEMBL10164830 0.82 MAP3K11 (0.51) PTPN11MAP3K11LRRK2PRKCQMAP4K1

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 14 patents. 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-22 US disclosed
EP-2925319-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES University Of Rochester (US) 2015-10-07 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
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-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
EP-2576549-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE University of Rochester (US) 2013-04-10 EP 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 (2 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-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 PTPN11 1325/4885MAP3K11 25/4885LRRK2 537/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB PTPN11 1949/4885MAP3K11 45/4885LRRK2 400/4885

“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.