Sugi Predict

Sugi Predict / Compounds / SCHEMBL1749220

SCHEMBL1749220

SCHEMBL1749220

CCOC(=O)c1nc(Nc2ccccc2CO[Si](C)(C)C(C)(C)C)nc2c1[nH]c(=O)n2-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ GLA P06280 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HDAC3 O15379 10/20 0.43
▸ HDAC4 P56524 10/20 0.43
▸ HDAC1 Q13547 10/20 0.43
▸ HDAC7 Q8WUI4 10/20 0.43
▸ HDAC2 Q92769 10/20 0.43
▸ HDAC10 Q969S8 10/20 0.43
▸ HDAC11 Q96DB2 10/20 0.43
▸ HDAC8 Q9BY41 10/20 0.43
▸ HDAC6 Q9UBN7 10/20 0.43
▸ HDAC9 Q9UKV0 10/20 0.43
▸ HDAC5 Q9UQL6 10/20 0.43
▸ KMT2A Q03164 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ TSHR P16473 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
SCHEMBL1750115 0.77 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2KMT2AUSP2
SCHEMBL4224600 0.77 KDM4E (0.53) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300939 0.77 KDM4E (0.62) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL4225570 0.76 KDM4E (0.50) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL4225565 0.76 KDM4E (0.50) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL1750011 0.75 KDM4E (0.60) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL1749830 0.74 KDM4E (0.49) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL4223540 0.73 KDM4E (0.44) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL4228913 0.73 KDM4E (0.43) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL300971 0.72 KDM4E (0.62) KDM4EHPGDALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383634-B2 Methods of treatment using heteroaryl compounds and compositions thereof SIGNAL PHARMACEUTICALS, LLC (US) 2013-02-26 — — US disclosed
US-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2011-09-15 — — US disclosed
US-7968556-B2 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2011-06-28 — — US disclosed
EP-2078018-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2009-07-15 — — EP disclosed
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2009-02-12 — — US disclosed
WO-2008051494-A1 HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2008-05-02 — — 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 (2 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-20110224217-A1 METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF JAK2, CHEK2, PHKG1 KDM4E 1690/4885HPGD 1819/4885ALDH1A1 2430/4885
US-20090042890-A1 Heteroaryl compounds, compositions thereof, and methods of treatment therewith JAK2, CHEK2, SRC KDM4E 2069/4885HPGD 1325/4885ALDH1A1 2113/4885

“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.