SCHEMBL15020548

SCHEMBL15020548

COc1ccc(-c2cnc3[nH]c(-c4c(F)cccc4F)cc3c2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.64
GRIN1 Q05586 9/20 0.50
GRIN2B Q13224 9/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50
KIT P10721 1/20 0.46
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP4B1 P13584 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP3A5 P20815 1/20 0.45
CYP2A7 P20853 1/20 0.45
CYP3A7 P24462 1/20 0.45
CYP2F1 P24903 1/20 0.45

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
SCHEMBL1459697 0.81 CYP1A1 (0.51) ORAI1FGFR2FGFR3CYP1A1CYP1A2
SCHEMBL15020520 0.80 ORAI1 (0.71) ORAI1GRIN1GRIN2BFGFR2FGFR3
SCHEMBL15751300 0.79 ORAI1 (0.86) ORAI1FGFR2FGFR3CCNB2CDK1
SCHEMBL15750796 0.79 ORAI1 (1.00) ORAI1GRIN1GRIN2BFGFR2FGFR3
SCHEMBL15020464 0.75 ORAI1 (0.59) ORAI1FGFR2FGFR3ABL1SRC
SCHEMBL1459687 0.74 ORAI1 (0.52) ORAI1CYP1A1CYP1A2CYP2E1CYP3A4
SCHEMBL15750813 0.73 ORAI1 (1.00) ORAI1FGFR2FGFR3CYP2C9ABL1
SCHEMBL1459868 0.72 KDM4E (0.49) ORAI1FGFR2FGFR3CYP1A1CYP1A2
SCHEMBL15020539 0.71 ORAI1 (0.62) ORAI1FGFR2FGFR3KITABL1
SCHEMBL15020550 0.70 ORAI1 (0.53) ORAI1FGFR2FGFR3CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO claimed
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.