SCHEMBL305462

SCHEMBL305462

Nc1cccc2c1cnn2-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 9/20 0.49
CYP17A1 P05093 7/20 0.49
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
CCR1 P32246 1/20 0.45
SCN9A Q15858 2/20 0.44
SCN5A Q14524 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.43
MAPK14 Q16539 1/20 0.38
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL476793 0.86 CYP1A2 (0.51) CYP1A2CYP17A1MKNK1MKNK2SCN9A
Hydrochloric Acid SCHEMBL304059 0.85 CYP1A2 (0.50) CYP1A2CYP17A1MKNK1MKNK2SCN9A
SCHEMBL303982 0.83 CYP17A1 (0.56) CYP1A2CYP17A1MKNK1MKNK2CCR1
SCHEMBL25257558 0.81 XDH (0.53) CYP1A2CYP17A1MKNK1MKNK2CCR1
SCHEMBL30491768 0.81 XDH (0.53) CYP1A2CYP17A1MKNK1MKNK2CCR1
SCHEMBL30491699 0.78 XDH (0.53) CYP1A2CYP17A1MKNK1MKNK2LMNA
SCHEMBL304096 0.78 XDH (0.53) CYP1A2CYP17A1MKNK1MKNK2LMNA
SCHEMBL4573821 0.76 MAPK14 (0.50) CYP1A2CYP17A1MKNK1MKNK2CCR1
Hydrochloric Acid SCHEMBL5551165 0.76 MKNK1 (0.42) CYP1A2CYP17A1MKNK1MKNK2CCR1
SCHEMBL4572945 0.75 MKNK1 (0.47) CYP1A2CYP17A1MKNK1MKNK2CCR1

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 CYP1A2 260/4885CYP17A1 55/4885MKNK1 1647/4885

“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.