SCHEMBL15020526

SCHEMBL15020526

CCc1sc(-c2cccnc2)nc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.41
KDM4E B2RXH2 4/20 0.40
GFER P55789 1/20 0.40
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CLK2 P49760 3/20 0.37
CLK3 P49761 3/20 0.37
DYRK1A Q13627 3/20 0.37
WNT1 P04628 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 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
SCHEMBL15020849 0.89 ORAI1 (0.44) ORAI1KDM4EGFERMAPTCYP1A2
SCHEMBL1459744 0.87 KDM4E (0.42) KDM4EGFERMAPTALDH1A1POLB
SCHEMBL1458937 0.81 MAPT (0.39) ORAI1KDM4EGFERMAPTALDH1A1
SCHEMBL15020851 0.76 ORAI1 (0.44) ORAI1CYP1A2CYP1A1CYP1B1FGFR2
SCHEMBL15020516 0.75 ORAI1 (0.41) ORAI1CLK2CLK3DYRK1AWNT1
SCHEMBL15020451 0.75 ORAI1 (0.42) ORAI1MAPTALDH1A1CLK2CLK3
SCHEMBL14844358 0.74 KDM4E (0.36) KDM4EGFERMAPTALDH1A1POLB
SCHEMBL14841785 0.74 KDM4E (0.35) KDM4EGFERMAPTALDH1A1POLB
SCHEMBL1460052 0.74 CYP19A1 (0.41) KDM4EGFERMAPTALDH1A1CYP1A2
SCHEMBL15059431 0.73 ORAI1 (0.33) ORAI1FGFR2FGFR3KITBRD4

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 1/4885KDM4E 2050/4885GFER 3669/4885

“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.