SCHEMBL1464327

SCHEMBL1464327

CC(c1sc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.35
SYK P43405 1/20 0.34
CYP19A1 P11511 2/20 0.34
CLK2 P49760 2/20 0.34
CLK3 P49761 2/20 0.34
DYRK1A Q13627 2/20 0.34
PTGES O14684 2/20 0.34
PTGS2 P35354 1/20 0.33
MAPK14 Q16539 3/20 0.32
NPY5R Q15761 1/20 0.32
BRAF P15056 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MMP2 P08253 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
PTGS1 P23219 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL1459851 0.92 ORAI1 (0.37) ORAI1SYKCYP19A1CLK2CLK3
SCHEMBL1459815 0.86 ORAI1 (0.40) ORAI1CYP19A1CLK2CLK3DYRK1A
SCHEMBL1458937 0.83 MAPT (0.39) ORAI1SYKCYP19A1CLK2CLK3
SCHEMBL1459713 0.80 ORAI1 (0.38) ORAI1SYKPTGESMAPK14NPY5R
SCHEMBL1460052 0.79 CYP19A1 (0.41) SYKCYP19A1CLK2CLK3DYRK1A
SCHEMBL1459744 0.77 KDM4E (0.42) SYKCYP19A1CLK2CLK3DYRK1A
SCHEMBL1460001 0.77 ORAI1 (0.41) ORAI1PTGESMAPK14KDM4ECSNK1D
SCHEMBL1458890 0.77 CYP19A1 (0.39) SYKCYP19A1CLK2CLK3DYRK1A
SCHEMBL1460264 0.76 ORAI1 (0.44) ORAI1PTGESADORA3
SCHEMBL1459644 0.74 ORAI1 (0.41) ORAI1PTGESMAPK14NPY5RALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ORAI1 1/4885SYK 1542/4885CYP19A1 1576/4885

“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.