SCHEMBL309493

SCHEMBL309493

CCCCCn1ncc2c(Br)cccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.51
SLC9A1 P19634 4/20 0.44
CNR2 P34972 6/20 0.39
CNR1 P21554 4/20 0.39
PKM P14618 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL18311614 0.95 GRM2 (0.56) GRM2SLC9A1TLR8MPO
SCHEMBL24134933 0.84 SLC9A1 (0.44) GRM2SLC9A1
SCHEMBL18070761 0.82 GRM2 (0.51) GRM2SLC9A1
SCHEMBL309237 0.82 TLR8 (0.50) SLC9A1TLR8
SCHEMBL13641426 0.81 PKM (0.41) GRM2SLC9A1CNR2CNR1PKM
SCHEMBL20608120 0.80 TDO2 (0.40) GRM2
SCHEMBL29561346 0.80 TDO2 (0.40) GRM2
SCHEMBL13332354 0.78 SLC9A1 (0.41) GRM2SLC9A1CNR2PKMTLR8
SCHEMBL476964 0.77 CNR1 (0.46) SLC9A1CNR2CNR1PKM
SCHEMBL4086740 0.76 CNR2 (0.49) SLC9A1CNR2CNR1PKMMPO

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-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP claimed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US claimed
EP-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
EP-2013185-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-8178573-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-05-15 US disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-7943651-B2 Compounds GLAXO GROUP LIMITED (GB) 2011-05-17 US disclosed
US-20100016331-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-21 US disclosed
EP-2086942-A2 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-08-12 EP disclosed
WO-2009074590-A1 N- (2 { [1-PHENYL-1H-INDAZ0L-4-YL] AMINO} PROPYL) -SULFONAMIDE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS FOR THE TREATMENT OF INFLAMMATIONS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
US-20090111866-A1 Novel Compounds GLAXO WELLCOME HOUSE (GB) 2009-04-30 US disclosed
WO-2009050220-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 WO disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
EP-2013185-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2009-01-14 EP disclosed
WO-2008043788-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-17 WO disclosed
EP-1869003-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
US-20070265326-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 US disclosed
WO-2007122165-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed
WO-2006108699-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-10-19 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 (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-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, MC2R GRM2 211/4885SLC9A1 816/4885CNR2 255/4885
US-20070265326-A1 NOVEL COMPOUNDS CCL11, MRGPRX2, LTB4R2 GRM2 2257/4885SLC9A1 3477/4885CNR2 77/4885
US-20090111866-A1 Novel Compounds CCL11, MRGPRX2, LTB4R2 GRM2 2257/4885SLC9A1 3477/4885CNR2 77/4885
US-20100016331-A1 NOVEL COMPOUNDS TSLP, LTB4R2, LTB4R GRM2 4151/4885SLC9A1 3873/4885CNR2 351/4885

“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.