SCHEMBL1614008

SCHEMBL1614008

C/N=C/c1ccc(Cl)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.40
GRIN3B O60391 4/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2B Q13224 4/20 0.40
GRIN2C Q14957 4/20 0.40
GRIN3A Q8TCU5 4/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
AMY1A P0DUB6 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CASP1 P29466 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2926635 0.80 HPGD (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4163624 0.80 HPGD (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2926632 0.80 HPGD (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23564759 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24278914 0.79 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8645161 0.79 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27310975 0.79 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30977633 0.79 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14613958 0.79 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL28411174 0.78 HPGD (0.46) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 WO disclosed
EP-2488491-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. Hoffmann-La Roche AG (CH) 2012-08-22 EP disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
US-8017607-B2 N-substituted-pyrrolidines as inhibitors of MDM2-P-53 interactions HOFFMANN-LA ROCHE INC. (US) 2011-09-13 US disclosed
WO-2011045257-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
WO-2011045257-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS BARTKOVITZ DAVID JOSEPH 2011-04-14 US disclosed
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection KYOWA HAKKO KIRIN CO., LTD. (JP) 2007-02-15 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 (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-20110086854-A1 NOVEL N-SUBSTITUTED-PYRROLIDINES AS INHIBITORS OF MDM2-P-53 INTERACTIONS MDM2, TP53, TP53BP1 GRIN2D 4240/4885GRIN3B 4087/4885GRIN1 3603/4885
US-20070037834-A1 Anti-inflammatory; cellular infiltration inhibition modulating activity on thymus and activation-regulated chemokine and macrophage-derived chemokine functions; inhibitory activities against binding of TARC and MDC to T cells; allergic disease, autoimmune disease, transplant, graft rejection CX3CR1, CCL5, CCRL2 GRIN2D 1331/4885GRIN3B 327/4885GRIN1 382/4885

“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.