Sugi Predict

Sugi Predict / Compounds / SCHEMBL1459995

SCHEMBL1459995

SCHEMBL1459995

COc1ccc(-c2ccc3[nH]c(-c4c(F)cccc4F)cc3c2)c(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ORAI1 Q96D31 2/20 0.45
▸ BRD9 Q9H8M2 1/20 0.39
▸ BRD7 Q9NPI1 1/20 0.39
▸ RAF1 P04049 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ LOXL2 Q9Y4K0 2/20 0.37
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ NPY5R Q15761 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
SCHEMBL1459906 0.93 ORAI1 (0.55) ORAI1BRD9BRD7RAF1DYRK1A
SCHEMBL1459869 0.89 ORAI1 (0.42) ORAI1BRD9BRD7RAF1DYRK1A
SCHEMBL1458826 0.82 ORAI1 (0.66) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1458818 0.81 KDM4E (0.49) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1464225 0.78 ALDH1A1 (0.46) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1459697 0.78 CYP1A1 (0.51) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1459563 0.77 KDM4E (0.48) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1460100 0.77 CYP1A1 (0.49) ORAI1KDM4ENPC1MAPTRAB9A
SCHEMBL1460119 0.76 ORAI1 (0.77) ORAI1MAPTLOXL2CYP1A1AAK1
SCHEMBL1459868 0.76 KDM4E (0.49) ORAI1KDM4ENPC1MAPTRAB9A

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 1/4885BRD9 2582/4885BRD7 2126/4885

“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.