SCHEMBL1460001

SCHEMBL1460001

Cc1sc(-c2cncnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.41
APEX1 P27695 2/20 0.41
PTGES O14684 8/20 0.39
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 1/20 0.33
FFAR1 O14842 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
MAPK14 Q16539 1/20 0.33
TEK Q02763 1/20 0.32
CACNA1B Q00975 1/20 0.32
CYP1A1 P04798 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
MAP4K1 Q92918 1/20 0.32
MPL P40238 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 0.91 ORAI1 (0.40) ORAI1APEX1PTGESCYP2C9CYP2D6
SCHEMBL1460264 0.88 ORAI1 (0.44) ORAI1APEX1PTGESCYP2C9CYP2D6
SCHEMBL1459644 0.85 ORAI1 (0.41) ORAI1APEX1PTGESCYP2C9CYP2D6
SCHEMBL1460052 0.83 CYP19A1 (0.41) APEX1CSNK1DCSNK1EMAPK14KDM4E
SCHEMBL1460233 0.82 MAPK14 (0.45) APEX1CSNK1DCSNK1EMAPK14TEK
SCHEMBL1458844 0.82 ORAI1 (0.39) ORAI1APEX1PTGESCYP2C9CYP2D6
SCHEMBL1458890 0.81 CYP19A1 (0.39) APEX1CSNK1DCSNK1EMAPK14CYP1A1
SCHEMBL1459555 0.80 MAPK14 (0.39) ORAI1APEX1CSNK1DCSNK1EMAPK14
SCHEMBL1458937 0.79 MAPT (0.39) ORAI1PTGESCYP1A1KDM4E
SCHEMBL1459851 0.79 ORAI1 (0.37) ORAI1PTGESCSNK1DCSNK1EMAPK14

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 9 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
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 1/4885APEX1 4159/4885PTGES 963/4885

“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.