Sugi Predict

Sugi Predict / Compounds / SCHEMBL3319977

SCHEMBL3319977

SCHEMBL3319977

CC(C)(C)OC(=O)NCCNC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ AAK1 Q2M2I8 2/20 0.43
▸ MAPT P10636 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 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
SCHEMBL3321460 0.96 PRMT5 (0.46) PRMT5WDR77CA1CA2AAK1
SCHEMBL16014137 0.89 PRMT5 (0.49) PRMT5WDR77CA1CA2AAK1
SCHEMBL29895473 0.86 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL1300326 0.86 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL27118089 0.86 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL16014297 0.85 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL16581991 0.84 PDGFRB (0.44) CA1CA2MAPTPDGFRBKDR
SCHEMBL3321408 0.83 PRMT5 (0.49) PRMT5WDR77CA1CA2AAK1
SCHEMBL3323121 0.82 MAPT (0.44) CA1CA2MAPTCYP3A4CYP2C19
SCHEMBL3057708 0.82 HDAC1 (0.53) PRMT5WDR77AAK1PDGFRBKDR

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 2710/4885CA1 4774/4885

“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.