SCHEMBL7181702

SCHEMBL7181702

CCc1nc(Cl)c([N+](=O)[O-])c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
ALDH1A1 P00352 6/20 0.34
TSHR P16473 2/20 0.34
PIN1 Q13526 2/20 0.34
POLB P06746 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
HTT P42858 2/20 0.31

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
SCHEMBL11678721 0.84 ALDH1A1 (0.37) PGK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11675190 0.83 PGK1 (0.48) PGK1ALDH1A1MAPTTLR7NPC1
SCHEMBL11679118 0.81 PDE4A (0.38) ALDH1A1PIN1MAPTMEN1KMT2A
SCHEMBL11676864 0.81 DPP4 (0.40) PGK1ALDH1A1TSHRPOLBMAPT
SCHEMBL10083724 0.79 TSHR (0.34) ALDH1A1TSHRPIN1POLBMAPT
SCHEMBL10074072 0.79 HASPIN (0.40) PGK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11676507 0.78 KMT2A (0.50) PGK1POLBMEN1KMT2ATLR7
Propane SCHEMBL28499124 0.78 ALDH1A1 (0.33) PGK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11680812 0.77 KMT2A (0.39) PGK1ALDH1A1POLBMAPTMEN1
SCHEMBL4846686 0.76 POLB (0.32) PIN1POLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2017-08-10 US disclosed
US-9637489-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2017-05-02 US disclosed
US-9359361-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2016-06-07 US disclosed
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS Wilmer Cutler Pickering Hale and Dorr LLP 2016-03-17 US disclosed
US-9126996-B2 Immune system modulators JANUS BIOTHERAPEUTICS, INC. (US) 2015-09-08 US disclosed
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20140079724-A1 NOVEL IMMUNE SYSTEM MODULATORS JANUS BIOTHERAPEUTICS, INC. (US) 2014-03-20 US disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
EP-0300726-B1 PIPERAZINYL DERIVATES OF PURINES AND ISOSTERES THEREOF AS HYPOGLYCEMIC AGENTS MERCK & CO. INC. (US) 1993-09-22 EP disclosed
US-5057517-A Piperazinyl derivatives of purines and isosteres thereof as hypoglycemic agents MERCK & CO., INC. (US) 1991-10-15 US disclosed
EP-0300726-A1 Piperazinyl derivates of purines and isosteres thereof as hypoglycemic agents MERCK & CO. INC. (US) 1989-01-25 EP disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 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 (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-20140079724-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 PGK1 4510/4885GRIN2D 4061/4885GRIN3B 1334/4885
US-20140221646-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 PGK1 4510/4885GRIN2D 4061/4885GRIN3B 1334/4885
US-20160074403-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 PGK1 4510/4885GRIN2D 4061/4885GRIN3B 1334/4885
US-20170224699-A1 NOVEL IMMUNE SYSTEM MODULATORS HLA-DRB1, CD47, MYD88 PGK1 4510/4885GRIN2D 4061/4885GRIN3B 1334/4885

“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.