SCHEMBL15020686

SCHEMBL15020686

Cn1nc(-c2cccnc2)nc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.44
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
WNT1 P04628 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
DYRK1A Q13627 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.38
BRD4 O60885 1/20 0.38
HPGDS O60760 1/20 0.37
KIT P10721 2/20 0.37
PDE10A Q9Y233 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
HSD17B2 P37059 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPY5R Q15761 1/20 0.35

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
SCHEMBL15020451 0.88 ORAI1 (0.42) ORAI1FGFR2FGFR3WNT1CLK2
SCHEMBL1459942 0.85 CYP19A1 (0.41) CLK2CLK3DYRK1ACYP11B1CYP11B2
SCHEMBL1459967 0.79 ORAI1 (0.40) ORAI1CLK2CLK3DYRK1APDE10A
SCHEMBL15020849 0.77 ORAI1 (0.44) ORAI1FGFR2FGFR3WNT1CLK2
SCHEMBL15020516 0.76 ORAI1 (0.41) ORAI1FGFR2FGFR3WNT1CLK2
SCHEMBL15020677 0.76 ORAI1 (0.53) ORAI1FGFR2FGFR3BRD4
SCHEMBL15059431 0.75 ORAI1 (0.33) ORAI1FGFR2FGFR3BRD4KIT
SCHEMBL1460201 0.73 MMP2 (0.41) CLK2CLK3DYRK1ACYP11B1CYP11B2
SCHEMBL15020526 0.73 ORAI1 (0.41) ORAI1FGFR2FGFR3WNT1CLK2
SCHEMBL11589724 0.73 NR1H2 (0.61) CYP11B1CYP11B2NPC1RAB9ANR1H2

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 1/4885FGFR2 4522/4885FGFR3 4866/4885

“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.