SCHEMBL15020520

SCHEMBL15020520

COc1cc(C#N)ccc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.71
GRIN1 Q05586 4/20 0.46
GRIN2B Q13224 4/20 0.46
GRM5 P41594 5/20 0.42
LRRK2 Q5S007 1/20 0.39
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
CTSA P10619 1/20 0.38
SCN9A Q15858 2/20 0.37
KIT P10721 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
PTGES O14684 1/20 0.37
PDE7A Q13946 1/20 0.37

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
SCHEMBL1460929 0.84 ORAI1 (0.49) ORAI1GRIN1GRIN2BGRM5EGLN2
SCHEMBL15750796 0.83 ORAI1 (1.00) ORAI1GRIN1GRIN2BFGFR2FGFR3
SCHEMBL15020548 0.80 ORAI1 (0.64) ORAI1GRIN1GRIN2BFGFR2FGFR3
SCHEMBL15750813 0.78 ORAI1 (1.00) ORAI1FGFR2FGFR3SCN9APTGES
SCHEMBL15751097 0.72 ORAI1 (0.74) ORAI1FGFR2FGFR3PTGES
SCHEMBL1460252 0.71 ORAI1 (0.46) ORAI1PTGES
SCHEMBL15751025 0.71 ORAI1 (0.62) ORAI1LRRK2FGFR2FGFR3PTGES
SCHEMBL15751224 0.71 ORAI1 (0.61) ORAI1PTGES
SCHEMBL15020509 0.70 ORAI1 (0.72) ORAI1SCN9AKITPTGES
SCHEMBL15751300 0.70 ORAI1 (0.86) ORAI1FGFR2FGFR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US claimed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 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 (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-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 ORAI1 1/4885GRIN1 1022/4885GRIN2B 504/4885

“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.