Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459531

SCHEMBL1459531

SCHEMBL1459531

Cc1cc(-c2ncco2)ncc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.42
▸ TGFBR1 P36897 1/20 0.35
▸ IL2 P60568 1/20 0.35
▸ HCRTR1 O43613 2/20 0.33
▸ HCRTR2 O43614 2/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ GUCY1B2 O75343 1/20 0.32
▸ GUCY1A2 P33402 1/20 0.32
▸ GUCY1A1 Q02108 1/20 0.32
▸ GUCY1B1 Q02153 1/20 0.32
▸ CLK2 P49760 2/20 0.32
▸ CLK3 P49761 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA1 P30542 2/20 0.32

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
SCHEMBL1459760 0.87 IL2 (0.40) ORAI1TGFBR1IL2HCRTR1HCRTR2
SCHEMBL1458886 0.85 IL2 (0.46) ORAI1TGFBR1IL2HCRTR1HCRTR2
SCHEMBL1459836 0.82 ORAI1 (0.44) ORAI1TGFBR1CYP1A1ALOX5APFEN1
SCHEMBL1459171 0.81 ORAI1 (0.46) ORAI1CYP1A1ALOX5APFEN1
SCHEMBL1460901 0.81 ORAI1 (0.47) ORAI1IL2P2RX7
SCHEMBL1460024 0.80 CDK5 (0.37) IL2HCRTR1HCRTR2CYP1A1CDK5
SCHEMBL1460152 0.80 ORAI1 (0.50) ORAI1CYP1A1
SCHEMBL1459966 0.79 ORAI1 (0.51) ORAI1
SCHEMBL1459509 0.79 ORAI1 (0.41) ORAI1IL2P2RX7
SCHEMBL1458882 0.79 GUCY1B2 (0.35) GUCY1B2GUCY1A2GUCY1A1GUCY1B1

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 ORAI1 1/4885TGFBR1 1678/4885IL2 3157/4885

“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.