Sugi Predict

Sugi Predict / Compounds / SCHEMBL309746

SCHEMBL309746

SCHEMBL309746

CC(C)n1ncc2c(C(=O)O)cc(C3CC3)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ PSMD14 O00487 1/20 0.60
▸ OPRM1 P35372 1/20 0.59
▸ OPRD1 P41143 1/20 0.59
▸ MAT2A P31153 3/20 0.58
▸ EZH2 Q15910 3/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ EED O75530 1/20 0.56
▸ RBBP4 Q09028 1/20 0.56
▸ SUZ12 Q15022 1/20 0.56
▸ RBBP7 Q16576 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ POLB P06746 1/20 0.49

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
SCHEMBL29944921 1.00 KDM4E (1.00) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL29944923 0.89 KDM4E (0.80) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL26695307 0.89 KDM4E (0.80) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL26695338 0.88 KDM4E (0.78) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL23863709 0.83 KDM4E (0.71) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL30033251 0.83 KDM4E (0.70) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL23579791 0.83 KDM4E (0.70) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL1695004 0.81 KDM4E (0.69) KDM4EKMT2AL3MBTL1PSMD14MAT2A
SCHEMBL12498405 0.81 KDM4E (0.68) KDM4EKMT2AL3MBTL1PSMD14OPRM1
SCHEMBL29944925 0.81 KDM4E (0.67) KDM4EKMT2AL3MBTL1PSMD14OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834451-B2 Compositions and methods for inhibiting virus protein 2C activity and for preventing and treating non-polio enterovirus infection ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-12-05 — — US disclosed
US-9446041-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-09-20 — — US disclosed
EP-2773754-B1 Compounds for use in the treatment of T-cell mediated diseases GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-08-03 — — EP disclosed
US-20160074394-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2016-03-17 — — US disclosed
US-9242962-B2 Method of treatment GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-01-26 — — US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 — — US disclosed
EP-2566479-B1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-12-24 — — EP disclosed
US-20140343056-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2014-11-20 — — US disclosed
US-20140256739-A1 METHOD OF TREATMENT GLAXOSMITHKLINE LLC 2014-09-11 — — US disclosed
EP-2773754-A1 METHOD OF TREATMENT Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-09-10 — — EP disclosed
WO-2013067300-A1 METHOD OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2013-05-10 — — WO disclosed
WO-2013039988-A1 AZAINDAZOLES GLAX0SMITHKLINE LLC (US) 2013-03-21 — — WO disclosed
EP-2566479-A1 AZAINDAZOLES GlaxoSmithKline LLC (US) 2013-03-13 — — EP disclosed
US-20130059849-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC 2013-03-07 — — US disclosed
EP-2111406-B1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK SHARP & DOHME (US) 2012-10-24 — — EP disclosed
WO-2012005805-A1 AZAINDAZOLES GLAXOSMITHKLINE LLC (US) 2012-01-12 — — WO disclosed
US-8093389-B2 e.g. 1-[(1-Ethyl-4-methoxy-1H-benzimidazol-6-yl)carbonyl]-6-(1H-tetrazol-5-yl)spiro[chroman-2,4'-piperidine]-4-one; acetyl CoA carboxylase inhibitors; antidiabetic, hypoglycemic agent; metabolic syndrome, fatty liver, hyperlipemia, obesity, diabetes, bulimia, malignant neoplasm or infectious diseases MERCK SHARP & DOHME CORP. (US) 2012-01-10 — — US disclosed
EP-2111406-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS Merck & Co., Inc. (US) 2009-10-28 — — EP disclosed
WO-2008088688-A1 SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS MERCK & CO., INC. (US) 2008-07-24 — — WO disclosed
US-20080171761-A1 Substituted spirochromanone derivatives MERCK SHARP & DOHME LLC 2008-07-17 — — US 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-20140343056-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KDM4E 682/4885KMT2A 448/4885L3MBTL1 3606/4885
US-20160074394-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 KDM4E 130/4885KMT2A 50/4885L3MBTL1 1759/4885
US-20140256739-A1 METHOD OF TREATMENT EZH1, EZH2, SUV39H2 KDM4E 130/4885KMT2A 50/4885L3MBTL1 1759/4885
US-20130059849-A1 AZAINDAZOLES AZI2, MKI67, DNMT1 KDM4E 682/4885KMT2A 448/4885L3MBTL1 3606/4885
US-20080171761-A1 Substituted spirochromanone derivatives CBR3, CBR1, CNKSR1 KDM4E 4093/4885KMT2A 3886/4885L3MBTL1 2599/4885
US-11834451-B2 Compositions and methods for inhibiting virus protein 2C activity and for preventing and treating non-polio enterovirus infection GTF3C3, VDAC3, GTF3C5 KDM4E 3370/4885KMT2A 3570/4885L3MBTL1 3422/4885

“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.