SCHEMBL1459965

SCHEMBL1459965

Cc1nc(-c2ccccc2)sc1-c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.53
CACNG8 Q8WXS5 2/20 0.53
CYP1A2 P05177 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
PGR P06401 3/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
COMT P21964 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CDC7 O00311 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
DBF4 Q9UBU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
Ethoxycarbonyl Group SCHEMBL27878679 0.89 GRIA1 (0.43) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL16047379 0.80 CYP1A2 (0.56) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL3132725 0.77 PGR (0.73) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL13028342 0.76 MAPT (0.54) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL16090311 0.76 CYP1A2 (0.54) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL16049329 0.74 PGR (0.61) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL16090319 0.74 GRIA1 (0.53) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL16090324 0.73 CYP1A2 (0.54) GRIA1CACNG8CYP1A2CYP11B1CYP11B2
SCHEMBL2093272 0.72 ALDH1A1 (0.63) CYP1A2KDM4EALDH1A1LMNACOMT
SCHEMBL20924253 0.71 PDE3B (0.57) GRIA1CACNG8CYP1A2CYP11B1CYP11B2

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 366/4885CACNG8 70/4885CYP1A2 1233/4885

“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.