SCHEMBL11024477

SCHEMBL11024477

N#Cc1cccc([CH]C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.57
GRIN3B O60391 2/20 0.57
GRIN1 Q05586 2/20 0.57
GRIN2A Q12879 2/20 0.57
GRIN2B Q13224 2/20 0.57
GRIN2C Q14957 2/20 0.57
GRIN3A Q8TCU5 2/20 0.57
FBP1 P09467 3/20 0.54
P4HB P07237 10/20 0.51
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
GSK3B P49841 2/20 0.45

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
SCHEMBL27566838 0.85 P4HB (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8148525 0.84 P4HB (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8148520 0.84 P4HB (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15157578 0.80 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6667243 0.78 FBP1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4238897 0.78 FBP1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8497675 0.76 P4HB (0.66) FBP1P4HBMAOAMAOB
SCHEMBL7339707 0.76 P4HB (0.66) FBP1P4HBMAOAMAOB
SCHEMBL67236 0.76 FBP1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL127878 0.76 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP claimed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US claimed
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2023-06-22 US disclosed
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2021-10-28 US disclosed
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2020-12-10 US disclosed
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-08-29 US disclosed
US-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2019-01-03 US disclosed
US-9937175-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2018-04-10 US disclosed
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI- AVENTIS (FR) 2017-08-17 US disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-9469627-B2 Phenyloxadiazole derivatives as PGDS inhibitors SANOFI (FR) 2016-10-18 US disclosed
EP-2486024-B1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI SA (FR) 2015-04-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS SANOFI (FR) 2012-07-26 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-20190000845-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1573/4885GRIN3B 1995/4885GRIN1 1507/4885
US-20200383982-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1573/4885GRIN3B 1995/4885GRIN1 1507/4885
US-20190262338-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1537/4885GRIN3B 1989/4885GRIN1 1463/4885
US-20120190695-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1573/4885GRIN3B 1995/4885GRIN1 1507/4885
US-20230190747-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1573/4885GRIN3B 1995/4885GRIN1 1507/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 GRIN2D 4154/4885GRIN3B 4442/4885GRIN1 3200/4885
US-20210330671-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1625/4885GRIN3B 2097/4885GRIN1 1447/4885
US-20170231990-A1 PHENYLOXADIAZOLE DERIVATIVES AS PGDS INHIBITORS PTGER1, PTGIS, PTGDR GRIN2D 1573/4885GRIN3B 1995/4885GRIN1 1507/4885

“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.