SCHEMBL1460337

SCHEMBL1460337

CCn1nc(C(F)(F)F)cc1-c1ccc2[nH]c(-c3cnccc3C)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 3/20 0.40
CLK3 P49761 3/20 0.40
DYRK1A Q13627 3/20 0.40
MMP13 P45452 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.35
CYP11B1 P15538 3/20 0.34
CYP11B2 P19099 3/20 0.34
PTGS2 P35354 2/20 0.34
CYP17A1 P05093 1/20 0.34
IDO1 P14902 1/20 0.34
MMP2 P08253 1/20 0.33
MMP14 P50281 1/20 0.33

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
SCHEMBL1460270 0.92 MMP13 (0.43) CLK2CLK3DYRK1AMMP13PTGDR2
SCHEMBL1460041 0.89 CYP3A4 (0.37) MMP13PTGDR2IDO1
SCHEMBL1460192 0.83 LOXL2 (0.38) MMP13PTGDR2MMP2MMP14
SCHEMBL12745918 0.82 CLK2 (0.39) CLK2CLK3DYRK1AMMP13CYP11B1
SCHEMBL1463427 0.81 MMP13 (0.41) MMP13PTGS2
SCHEMBL1459964 0.79 PTGDR2 (0.36) MMP13PTGDR2PTGS2MMP2MMP14
SCHEMBL15020471 0.78 CYP2C9 (0.37) MMP13
SCHEMBL1460149 0.78 TRPA1 (0.37) PTGDR2
SCHEMBL1463137 0.77 STIM1 (0.40) PTGS2
SCHEMBL1460105 0.77 LOXL2 (0.36) PTGDR2PTGS2

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
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
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 CLK2 2020/4885CLK3 2532/4885DYRK1A 1201/4885

“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.