Sugi Predict

Sugi Predict / Compounds / SCHEMBL3321460

SCHEMBL3321460

SCHEMBL3321460

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PKM P14618 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EPHX1 P07099 3/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 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
SCHEMBL3319977 0.96 PRMT5 (0.48) PRMT5WDR77CA1CA2CCNC
SCHEMBL16014297 0.90 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL16014137 0.85 PRMT5 (0.49) PRMT5WDR77CA1CA2AAK1
SCHEMBL1300326 0.85 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL29895473 0.85 PRMT5 (0.47) PRMT5WDR77CA1CA2AAK1
SCHEMBL27118089 0.84 PRMT5 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL27332191 0.83 EPHX1 (0.47) CA1CA2EPHX2PKMALDH1A1
SCHEMBL1802895 0.82 LIPG (0.55) PRMT5WDR77AAK1CYP3A4
SCHEMBL4124783 0.81 CA12 (0.48) PRMT5WDR77CA1CA2AAK1
SCHEMBL3323121 0.80 MAPT (0.44) CA1CA2ALDH1A1LMNAEPHX1

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.