SCHEMBL15020451

SCHEMBL15020451

CCn1nc(-c2cccnc2)nc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.42
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
KIT P10721 2/20 0.38
BRD4 O60885 1/20 0.38
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
WNT1 P04628 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 1/20 0.37
NR1H3 Q13133 2/20 0.36
NR1H2 P55055 1/20 0.36
HPGDS O60760 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
ULK1 O75385 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL15020686 0.88 ORAI1 (0.44) ORAI1FGFR2FGFR3KITBRD4
SCHEMBL1460201 0.86 MMP2 (0.41) CYP11B1CYP11B2CLK2CLK3DYRK1A
SCHEMBL15059431 0.85 ORAI1 (0.33) ORAI1FGFR2FGFR3KITBRD4
SCHEMBL15020516 0.83 ORAI1 (0.41) ORAI1FGFR2FGFR3KITCYP11B1
SCHEMBL1459830 0.80 NR1H3 (0.40) ORAI1CLK2CLK3DYRK1ANR1H3
SCHEMBL15020830 0.75 ORAI1 (0.43) ORAI1FGFR2FGFR3KITULK1
SCHEMBL1459694 0.75 NR1H3 (0.43) CLK2CLK3DYRK1ANR1H3NR1H2
SCHEMBL15020526 0.75 ORAI1 (0.41) ORAI1FGFR2FGFR3KITBRD4
SCHEMBL15020849 0.74 ORAI1 (0.44) ORAI1FGFR2FGFR3KITBRD4
SCHEMBL1459942 0.73 CYP19A1 (0.41) CYP11B1CYP11B2CLK2CLK3DYRK1A

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.