SCHEMBL15020539

SCHEMBL15020539

Cc1cc(C(=O)O)ncc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.62
ABL1 P00519 2/20 0.42
KIT P10721 5/20 0.41
BRD4 O60885 1/20 0.40
ULK1 O75385 6/20 0.40
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
DHODH Q02127 2/20 0.37
P4HTM Q9NXG6 1/20 0.37

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
SCHEMBL15020468 0.91 ORAI1 (0.59) ORAI1ABL1KITBRD4ULK1
SCHEMBL15036305 0.87 ORAI1 (0.55) ORAI1KITULK1FGFR2FGFR3
SCHEMBL15751300 0.83 ORAI1 (0.86) ORAI1ABL1BRD4ULK1FGFR2
SCHEMBL15020464 0.81 ORAI1 (0.59) ORAI1ABL1ULK1FGFR2FGFR3
SCHEMBL18944203 0.78 ORAI1 (0.47) ORAI1ULK1
SCHEMBL15750813 0.76 ORAI1 (1.00) ORAI1ABL1BRD4ULK1FGFR2
SCHEMBL15020509 0.76 ORAI1 (0.72) ORAI1KITBRD4ULK1
SCHEMBL15751097 0.76 ORAI1 (0.74) ORAI1ABL1BRD4ULK1FGFR2
SCHEMBL15020550 0.76 ORAI1 (0.53) ORAI1BRD4ULK1FGFR2FGFR3
SCHEMBL1459919 0.72 ORAI1 (0.54) ORAI1ABL1

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 3 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
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 1/4885ABL1 2631/4885KIT 534/4885

“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.