SCHEMBL1460929

SCHEMBL1460929

COc1cc(C#N)ccc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.49
CYP19A1 P11511 2/20 0.41
IDH1 O75874 1/20 0.40
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
GRM5 P41594 2/20 0.37
PLAU P00749 1/20 0.36
FASN P49327 1/20 0.36
PDE7A Q13946 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CNR2 P34972 1/20 0.35
VCP P55072 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
MDM2 Q00987 1/20 0.35

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
SCHEMBL1460252 0.87 ORAI1 (0.46) ORAI1CYP19A1GRIA1CACNG8VCP
SCHEMBL1459687 0.86 ORAI1 (0.52) ORAI1GRIA1CACNG8PDE7A
SCHEMBL12825551 0.85 ORAI1 (0.52) ORAI1GRIA1CACNG8PDE7A
SCHEMBL15020520 0.84 ORAI1 (0.71) ORAI1GRM5PDE7AGRIN1GRIN2B
SCHEMBL1459615 0.79 CYP19A1 (0.48) ORAI1CYP19A1SCN10AVCPEGLN2
SCHEMBL1459697 0.78 CYP1A1 (0.51) ORAI1
SCHEMBL1460031 0.78 CYP19A1 (0.38) ORAI1CYP19A1HCRTR1HCRTR2SCN10A
SCHEMBL1459709 0.78 CYP19A1 (0.40) CYP19A1IDH1HCRTR1HCRTR2SCN10A
SCHEMBL1459906 0.77 ORAI1 (0.55) ORAI1GRIA1CACNG8PDE7A
SCHEMBL6438041 0.76 KDM4E (0.42) CYP19A1IDH1PLAUEGLN2CFB

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
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP claimed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO claimed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US claimed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP 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 1/4885CYP19A1 1576/4885IDH1 2147/4885

“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.