SCHEMBL304556

SCHEMBL304556

Cc1cc(Br)c2cnn(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.45
CYP1A2 P05177 1/20 0.45
SCN9A Q15858 4/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 6/20 0.38
HDAC9 Q9UKV0 1/20 0.38
OPRM1 P35372 1/20 0.38
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL304234 0.85 SCN9A (0.46) SCN9A
SCHEMBL303716 0.84 CYP17A1 (0.45) CYP17A1CYP1A2SCN9ANPC1RAB9A
SCHEMBL304064 0.82 NR3C1 (0.47) CYP17A1CYP1A2TSHRMAPT
SCHEMBL25342945 0.81 SCN9A (0.45) CYP17A1CYP1A2SCN9AHDAC9
SCHEMBL30568648 0.74 CYP17A1 (0.44) CYP17A1CYP1A2SCN9AMAPK14TP53
SCHEMBL303854 0.73 RAB9A (0.44) CYP17A1CYP1A2NPC1RAB9AMAPT
SCHEMBL25344855 0.72 CYP17A1 (0.44) CYP17A1CYP1A2MAPK14TP53MAPT
SCHEMBL25342346 0.71 CYP17A1 (0.60) CYP17A1CYP1A2SCN9ARAB9A
SCHEMBL4398029 0.70 NPC1 (0.49) NPC1RAB9ATSHRTP53MAPT
SCHEMBL305521 0.69 SCN9A (0.48) CYP17A1CYP1A2SCN9AMAPK14

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 10 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 disclosed
EP-1869003-B1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2013-05-15 EP disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-8093281-B2 Indazoles as glucocorticoid receptor ligands GLAXO GROUP LIMITED (GB) 2012-01-10 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
US-20090074675-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-03-19 US disclosed
EP-1869003-A1 INDAZOLES AS GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-26 EP 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 (1 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 CYP17A1 55/4885CYP1A2 260/4885SCN9A 3494/4885

“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.