Sugi Predict

Sugi Predict / Compounds / SCHEMBL3321408

SCHEMBL3321408

SCHEMBL3321408

CC(C)(C)OC(=O)NCCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ AAK1 Q2M2I8 2/20 0.44
▸ TP53BP1 Q12888 4/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NQO2 P16083 1/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ACACB O00763 1/20 0.38
▸ ACACA Q13085 1/20 0.38
▸ GABRA5 P31644 1/20 0.38

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
SCHEMBL16172133 0.89 PRMT5 (0.48) PRMT5WDR77AAK1CA1CA2
SCHEMBL1990625 0.86 CA1 (0.54) PRMT5WDR77AAK1CA1CA2
SCHEMBL16014137 0.84 PRMT5 (0.49) PRMT5WDR77AAK1CA1CA2
SCHEMBL14189767 0.83 CA1 (0.45) TP53BP1CA1CA2CA9L3MBTL1
SCHEMBL2144320 0.83 LIPG (0.51) PRMT5WDR77AAK1CA1CA2
SCHEMBL3319977 0.83 PRMT5 (0.48) PRMT5WDR77AAK1CA1CA2
SCHEMBL29588581 0.82 HPGD (0.49) CA1CA2CA9L3MBTL1SMN1; SMN2
SCHEMBL3337290 0.82 L3MBTL1 (0.46) TP53BP1CA1CA2CA9L3MBTL1
SCHEMBL31449957 0.82 L3MBTL1 (0.59) TP53BP1CA1CA2CA9L3MBTL1
SCHEMBL284764 0.82 SMN1; SMN2 (0.55) TP53BP1L3MBTL1NQO2SMN1; SMN2ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 — — EP disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 — — US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 — — US disclosed
US-8895745-B2 Bicyclic heterocyclic compounds as FGFR inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2014-11-25 — — US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US disclosed
US-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US disclosed
WO-2008078091-A1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2008-07-03 — — WO 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-20100120761-A1 Bicyclic Heterocyclic Compounds as FGFR Inhibitors FGFR3, FGFR1, FGFR2 PRMT5 1582/4885WDR77 2710/4885AAK1 876/4885

“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.