SCHEMBL1460264

SCHEMBL1460264

Cc1ccc(-c2nc(-c3ccc4[nH]c(-c5c(F)cccc5Cl)cc4c3)c(C)s2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.44
PTGES O14684 11/20 0.40
APEX1 P27695 2/20 0.40
ADORA3 P0DMS8 1/20 0.37
CYP2C9 P11712 3/20 0.33
CYP2D6 P10635 2/20 0.33
FFAR1 O14842 1/20 0.33
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
TGFBR1 P36897 1/20 0.31
CYP1A1 P04798 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
SCHEMBL1459815 0.90 ORAI1 (0.40) ORAI1PTGESAPEX1ADORA3CYP2C9
SCHEMBL1460001 0.88 ORAI1 (0.41) ORAI1PTGESAPEX1CYP2C9CYP2D6
SCHEMBL1459644 0.85 ORAI1 (0.41) ORAI1PTGESAPEX1CYP2C9CYP2D6
SCHEMBL1458844 0.83 ORAI1 (0.39) ORAI1PTGESAPEX1CYP2C9CYP2D6
SCHEMBL1460052 0.83 CYP19A1 (0.41) APEX1CYP3A4CYP2C19
SCHEMBL1459555 0.81 MAPK14 (0.39) ORAI1APEX1CYP1A1
SCHEMBL1458890 0.80 CYP19A1 (0.39) APEX1CYP3A4CYP2C19CYP1A1
SCHEMBL1460233 0.79 MAPK14 (0.45) APEX1CYP1A1
SCHEMBL1458937 0.79 MAPT (0.39) ORAI1PTGESADORA3CYP1A1
SCHEMBL1459851 0.79 ORAI1 (0.37) ORAI1PTGESADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
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 1/4885PTGES 963/4885APEX1 4159/4885

“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.