SCHEMBL15020552

SCHEMBL15020552

Cc1sc(-c2cnccn2)nc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.53
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP1B1 Q16678 2/20 0.37
PTGES O14684 3/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
APEX1 P27695 2/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.33
PIEZO1 Q92508 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
FGFR2 P21802 1/20 0.32
FGFR3 P22607 1/20 0.32
RAB9A P51151 1/20 0.32
NPY5R Q15761 1/20 0.31
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL15020851 0.94 ORAI1 (0.44) ORAI1CYP1A1CYP1A2CYP1B1HTT
SCHEMBL1459644 0.88 ORAI1 (0.41) ORAI1CYP1A1CYP1A2CYP1B1PTGES
SCHEMBL15020849 0.82 ORAI1 (0.44) ORAI1CYP1A1CYP1A2CYP1B1APEX1
SCHEMBL1459992 0.81 HTT (0.38) ORAI1CYP1A1CYP1A2CYP1B1HTT
SCHEMBL1460055 0.79 ORAI1 (0.39) ORAI1CYP1A1CYP1A2CYP1B1PTGES
SCHEMBL1459713 0.77 ORAI1 (0.38) ORAI1CYP1A1CYP1A2CYP1B1PTGES
SCHEMBL15020660 0.76 ORAI1 (0.43) ORAI1CYP1A1CYP1A2CYP1B1APEX1
SCHEMBL15020536 0.76 ORAI1 (0.49) ORAI1PTGESNPC1ALDH1A1SMN1; SMN2
SCHEMBL1459815 0.75 ORAI1 (0.40) ORAI1PTGESHTTAPEX1ALDH1A1
SCHEMBL1460264 0.74 ORAI1 (0.44) ORAI1CYP1A1PTGESAPEX1

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 1/4885CYP1A1 1662/4885CYP1A2 752/4885

“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.