SCHEMBL721924

SCHEMBL721924

O=c1[nH]c2ncc(Br)cc2n1CC1CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 17/20 0.64
GRIN2B Q13224 17/20 0.64
MAP3K11 Q16584 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1565060 0.93 GRIN1 (0.57) GRIN1GRIN2B
SCHEMBL1564601 0.91 GRIN1 (0.55) GRIN1GRIN2B
SCHEMBL1565825 0.86 GRIN1 (0.50) GRIN1GRIN2B
SCHEMBL1565140 0.86 GRIN1 (0.53) GRIN1GRIN2BMAP3K11
SCHEMBL15999458 0.80 PDE4A (0.44) GRIN1GRIN2BMEN1CYP3A4KMT2A
SCHEMBL23507984 0.80 GRIN1 (0.70) GRIN1GRIN2B
SCHEMBL1565443 0.79 GRIN1 (0.47) GRIN1GRIN2B
SCHEMBL29887822 0.78 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL20134389 0.78 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL29887725 0.78 GRIN1 (1.00) GRIN1GRIN2B

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 19 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-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
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-9181247-B2 Substituted pyrrolo[2,3-B]pyridines as MLK inhibitors THE UNIVERSITY OF ROCHESTER (US) 2015-11-10 US disclosed
EP-2379561-B1 MLK INHIBITORS AND METHODS OF USE UNIV ROCHESTER (US) 2015-11-04 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-20150105401-A1 MLK INHIBITORS AND METHODS OF USE THE UNIVERSITY OF ROCHESTER (US) 2015-04-16 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-8785438-B2 Imidazopyridin-2-one derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-22 US disclosed
EP-2308877-B1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2014-01-22 EP disclosed
US-20130338156-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-12-19 US disclosed
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2013-08-08 US disclosed
US-8436012-B2 Imidazopyridin-2-one derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-05-07 US disclosed
US-20120053175-A1 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2012-03-01 US disclosed
EP-2308877-A1 IMIDAZOPYRIDIN-2-ON DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-04-13 EP disclosed
US-20110082138-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-07 US 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 (8 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 GRIN1 471/4885GRIN2B 497/4885MAP3K11 23/4885
US-20110082138-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MTOR, MAPKAP1, RICTOR GRIN1 635/4885GRIN2B 862/4885MAP3K11 284/4885
US-20150297587-A1 MIXED LINEAGE KINASE INHIBITORS FOR HIV/AIDS THERAPIES MLKL, MARCKS, MAP3K4 GRIN1 3274/4885GRIN2B 4096/4885MAP3K11 25/4885
US-20150105401-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRIN1 471/4885GRIN2B 497/4885MAP3K11 23/4885
US-20130203755-A1 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE MAP2K2, MAP2K7, CHKB GRIN1 401/4885GRIN2B 416/4885MAP3K11 45/4885
US-20160024087-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRIN1 471/4885GRIN2B 497/4885MAP3K11 23/4885
US-20130338156-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MTOR, MAPKAP1, RICTOR GRIN1 635/4885GRIN2B 862/4885MAP3K11 284/4885
US-20160317509-A1 MLK INHIBITORS AND METHODS OF USE MAP3K20, MAP3K2, MAP3K7 GRIN1 471/4885GRIN2B 497/4885MAP3K11 23/4885

“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.