Sugi Predict

Sugi Predict / Compounds / SCHEMBL1754340

SCHEMBL1754340

SCHEMBL1754340

CC(C)(C)OC(=O)Nc1cn(-c2ccccc2)nc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ LMNA P02545 7/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ BRD9 Q9H8M2 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL8241813 0.89 CDK8 (0.41) HDAC1HDAC2LMNASMN1; SMN2BRD9
SCHEMBL8241611 0.88 BRD9 (0.42) HDAC1HDAC2LMNASMN1; SMN2BRD9
SCHEMBL8243030 0.88 HDAC1 (0.51) HDAC1HDAC2LMNABRD9HTT
SCHEMBL12291140 0.88 KDM4E (0.41) HDAC1HDAC2LMNAKDM4EMAPT
SCHEMBL8174448 0.87 PARP1 (0.42) HDAC1HDAC2LMNASMN1; SMN2BRD9
SCHEMBL12291141 0.86 MAPKAPK2 (0.49) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL8241599 0.86 GRM5 (0.42) HDAC1HDAC2LMNABRD9CNR2
SCHEMBL12291158 0.86 KDM4E (0.43) HDAC1HDAC2LMNASMN1; SMN2BRD9
SCHEMBL8244751 0.86 GFER (0.45) LMNASMN1; SMN2BRD9RAB9ATP53
SCHEMBL6963566 0.86 BRD9 (0.48) LMNASMN1; SMN2BRD9HTTCNR2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-20130131041-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — US disclosed
US-8349825-B2 Spirocyclic compounds MERCK SHARP & DOHME CORP. (US) 2013-01-08 — — US disclosed
EP-1945617-B1 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK SHARP & DOHME (US) 2012-12-26 — — EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-8026260-B2 Histone deacetylase inhibitors with aryl-pyrazolyl-motifs MERCK SHARP & DOHME CORP. (US) 2011-09-27 — — US disclosed
US-7981874-B2 Phosphorus derivatives as histone deacetylase inhibitors MERCK SHARP & DOHME CORP. (US) 2011-07-19 — — US disclosed
US-20110098268-A1 SPIROCYCLIC COMPOUNDS MERCK & CO., INC (US) 2011-04-28 — — US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 — — US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 — — US disclosed
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD SCIENCES, INC. 2009-01-01 — — US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 — — WO disclosed
WO-2007061880-A1 SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS MERCK & CO., INC. (US) 2007-05-31 — — WO disclosed
US-20070117824-A1 Spirocyclic compounds MERCK SHARP & DOHME LLC 2007-05-24 — — US disclosed
WO-2007055941-A2 HISTONE DEACETYLASE INHIBITORS WITH ARYL-PYRAZOLYL MOTIFS MERCK & CO., INC. (US) 2007-05-18 — — WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — 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 (6 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-20110098268-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885LMNA 2144/4885
US-20090005374-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC8, HDAC5 HDAC1 1/4885HDAC2 7/4885LMNA 1476/4885
US-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 HDAC1 4/4885HDAC2 7/4885LMNA 3103/4885
US-20070117824-A1 Spirocyclic compounds BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885LMNA 2144/4885
US-20130131041-A1 SPIROCYCLIC COMPOUNDS BRDT, TXNRD3, HDAC1 HDAC1 3/4885HDAC2 8/4885LMNA 2144/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 HDAC1 4/4885HDAC2 8/4885LMNA 3991/4885

“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.