SCHEMBL15020550

SCHEMBL15020550

Cc1cc(S(=O)(=O)N(C)C)ccc1-c1cnc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
AURKA O14965 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
AURKB Q96GD4 1/20 0.36
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
ALOX5AP P20292 3/20 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
SCHEMBL15020466 0.94 ORAI1 (0.63) ORAI1L3MBTL1POLBJAK2JAK1
SCHEMBL15750962 0.80 PIK3CG (0.39) ORAI1POLBAURKACCNA2CDK2
SCHEMBL15751007 0.78 ORAI1 (0.47) ORAI1L3MBTL1POLBCDK2EED
SCHEMBL15020464 0.77 ORAI1 (0.59) ORAI1FGFR2FGFR3ULK1
SCHEMBL1459739 0.77 ORAI1 (0.43) ORAI1L3MBTL1POLBCCNA2CDK2
SCHEMBL15750951 0.77 ORAI1 (0.58) ORAI1POLBALOX5APFEN1ALDH1A1
SCHEMBL15020539 0.76 ORAI1 (0.62) ORAI1FGFR2FGFR3BRD4ULK1
SCHEMBL15021948 0.75 TRPV3 (0.37) L3MBTL1POLBJAK2JAK1TYK2
SCHEMBL15751300 0.75 ORAI1 (0.86) ORAI1FGFR2FGFR3ALOX5APFEN1
SCHEMBL15750730 0.74 CDK2 (0.35) JAK1TYK2AURKACCNA2CDK2

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 10 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
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 US disclosed
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 (2 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ORAI1 4481/4885L3MBTL1 1896/4885POLB 2702/4885
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 ORAI1 1/4885L3MBTL1 4882/4885POLB 4124/4885

“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.