SCHEMBL1459103

SCHEMBL1459103

CCn1nc(C(F)(F)F)cc1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 10/20 0.53
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
PGR P06401 2/20 0.46
NR3C2 P08235 4/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CACNG8 Q8WXS5 2/20 0.43
KIF11 P52732 1/20 0.43
MET P08581 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
NR3C1 P04150 1/20 0.41

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
SCHEMBL1459317 0.85 GRIA1 (0.56) GRIA1PDE3BPDE3APGRNR3C2
Ethoxycarbonyl Group SCHEMBL27878599 0.79 GRIA1 (0.47) GRIA1PDE3BPDE3APGRNR3C2
SCHEMBL12745806 0.72 GRIA2 (0.34) NR3C2
SCHEMBL1903306 0.70 KIF11 (0.80) GRIA1PDE3BPDE3APGRCACNG8
SCHEMBL13698767 0.70 PTGS1 (0.58)
SCHEMBL2170691 0.70 PDE4B (0.55) GRIA1PDE3APDE4BCACNG8
SCHEMBL18190040 0.70 GRIA1 (1.00) GRIA1CACNG8
SCHEMBL1460212 0.69 PGR (0.55) GRIA1PDE3BPDE3APGRPDE4A
SCHEMBL4658686 0.68 PDE3B (0.59) GRIA1PDE3BPDE3APGRPDE4A
SCHEMBL30426881 0.68 HDAC3 (0.42)

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 7 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 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 GRIA1 366/4885PDE3B 506/4885PDE3A 532/4885

“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.