SCHEMBL1459967

SCHEMBL1459967

Cn1nc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
CYP19A1 P11511 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PDE10A Q9Y233 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
PTGES O14684 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
MAPK14 Q16539 1/20 0.36
HSD17B2 P37059 1/20 0.35
NPY5R Q15761 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 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
SCHEMBL1459942 0.93 CYP19A1 (0.41) CYP19A1ALDH1A1NR1H2NR1H3PDE10A
SCHEMBL1458976 0.91 ORAI1 (0.43) ORAI1NR1H2NR1H3PDE10APTGES
SCHEMBL1459830 0.89 NR1H3 (0.40) ORAI1ADORA3CYP19A1ALDH1A1NR1H2
SCHEMBL1459585 0.84 GRM5 (0.41) ORAI1NR1H2NR1H3PDE10APTGES
Tert-Butyl Formate SCHEMBL28799281 0.83 ORAI1 (0.39) ORAI1NR1H2NR1H3PTGESCYP2D6
SCHEMBL1459694 0.81 NR1H3 (0.43) ADORA3CYP19A1ALDH1A1NR1H2NR1H3
SCHEMBL1460201 0.81 MMP2 (0.41) CYP19A1ALDH1A1NR1H2NR1H3PDE10A
SCHEMBL15020686 0.79 ORAI1 (0.44) ORAI1ALDH1A1NR1H2NR1H3PDE10A
SCHEMBL1459815 0.78 ORAI1 (0.40) ORAI1ADORA3CYP19A1ALDH1A1MMP2
SCHEMBL1459931 0.78 MMP2 (0.38) ORAI1CYP19A1MMP2MMP13MMP14

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 11 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
CN-102574788-A Indole derivatives as crac modulators HOFFMANN LA ROCHE 2012-07-11 CN 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
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 1/4885ADORA3 175/4885CYP19A1 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.