SCHEMBL1460201

SCHEMBL1460201

CCn1nc(-c2cccnc2)nc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
MMP14 P50281 1/20 0.41
CYP19A1 P11511 2/20 0.39
NR1H3 Q13133 2/20 0.39
NR1H2 P55055 1/20 0.39
MAPK14 Q16539 2/20 0.38
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
MAPT P10636 2/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDE10A Q9Y233 1/20 0.35
VCP P55072 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SYK P43405 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL1459830 0.94 NR1H3 (0.40) MMP2MMP13MMP14CYP19A1NR1H3
SCHEMBL1459694 0.89 NR1H3 (0.43) MMP2MMP13MMP14CYP19A1NR1H3
SCHEMBL1459942 0.87 CYP19A1 (0.41) MMP2MMP13MMP14CYP19A1NR1H3
SCHEMBL15020451 0.86 ORAI1 (0.42) NR1H3NR1H2MAPTCLK2CLK3
SCHEMBL1459710 0.83 CYP19A1 (0.41) MMP2MMP13MMP14CYP19A1CLK2
SCHEMBL1459963 0.82 NR1H3 (0.45) MMP2MMP13MMP14CYP19A1NR1H3
SCHEMBL1460075 0.82 ORAI1 (0.39) NR1H3NR1H2MAPK14CSNK1DCSNK1E
SCHEMBL1459967 0.81 ORAI1 (0.40) MMP2MMP13MMP14CYP19A1NR1H3
SCHEMBL1459931 0.78 MMP2 (0.38) MMP2MMP13MMP14CYP19A1MAPK14
SCHEMBL1459773 0.76 CYP19A1 (0.43) MMP2MMP13MMP14CYP19A1CLK2

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 MMP2 4541/4885MMP13 4585/4885MMP14 4674/4885

“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.