Sugi Predict

Sugi Predict / Compounds / SCHEMBL3922065

SCHEMBL3922065

SCHEMBL3922065

CCOC(=O)c1cnc(N)nc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 1.00
▸ HSP90AA1 P07900 1/20 0.60
▸ NFKB1 P19838 7/20 0.57
▸ NFKB2 Q00653 6/20 0.57
▸ RELA Q04206 6/20 0.57
▸ JUN P05412 5/20 0.57
▸ IDO1 P14902 1/20 0.54
▸ ATF1 P18846 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ FOS P01100 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL15504767 0.87 KDM4E (0.77) KDM4EHSP90AA1NFKB1NFKB2RELA
SCHEMBL2119119 0.85 KDM4E (0.74) KDM4EHSP90AA1NFKB1NFKB2RELA
SCHEMBL8543216 0.84 KDM4E (0.72) KDM4EHSP90AA1NFKB1NFKB2RELA
SCHEMBL4592592 0.84 KDM4E (0.72) KDM4EHSP90AA1NFKB1NFKB2RELA
SCHEMBL15038313 0.84 KDM4E (0.72) KDM4ENFKB1NFKB2RELAJUN
SCHEMBL25415290 0.83 KDM4E (0.71) KDM4EHSP90AA1NFKB1NFKB2RELA
Water SCHEMBL4592788 0.83 KDM4E (0.71) KDM4EHSP90AA1NFKB1NFKB2RELA
SCHEMBL30617280 0.83 KDM4E (0.71) KDM4ENFKB1NFKB2RELAJUN
SCHEMBL1549128 0.83 KDM4E (0.71) KDM4ENFKB1NFKB2RELAJUN
SCHEMBL8396932 0.82 KDM4E (0.70) KDM4EHSP90AA1NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110591455-A Shrimp shell and crab shell chitosan formaldehyde sealant and preparation method thereof 汪远昊 2019-12-20 — — CN claimed
CN-109652166-B Volatile cleaning-free stretching oil and preparation method thereof 东莞市登喜达表面处理科技有限公司 2023-01-06 — — CN disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 — — US disclosed
CN-110591455-A Shrimp shell and crab shell chitosan formaldehyde sealant and preparation method thereof 汪远昊 2019-12-20 — — CN disclosed
CN-110591455-A Shrimp shell and crab shell chitosan formaldehyde sealant and preparation method thereof 汪远昊 2019-12-20 — — CN disclosed
EP-2085430-A1 AZO METAL CHELATE DYE AND OPTICAL RECORDING MEDIUM Mitsubishi Kagaku Media Co., Ltd. (JP) 2009-08-05 — — EP disclosed
US-7563797-B2 Substituted imidazo(1,2-A)pyrimidines and imidazo(1,2-A) pyridines as cannabinoid receptor ligands Forest Laboratories Holding Limited (BM) 2009-07-21 — — US disclosed
US-7563797-B2 Substituted imidazo(1,2-A)pyrimidines and imidazo(1,2-A) pyridines as cannabinoid receptor ligands Forest Laboratories Holding Limited (BM) 2009-07-21 — — US disclosed
US-7563797-B2 Substituted imidazo(1,2-A)pyrimidines and imidazo(1,2-A) pyridines as cannabinoid receptor ligands Forest Laboratories Holding Limited (BM) 2009-07-21 — — US disclosed
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-10-23 — — US disclosed
US-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 — — US disclosed
US-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 — — US disclosed
US-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 — — US disclosed
WO-2008027812-A2 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 — — WO disclosed
WO-2008027812-A2 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-03-06 — — WO disclosed
EP-1863794-A2 PYRIMIDINE COMPOUNDS AND METHODS OF USE Targegen, Inc. (US) 2007-12-12 — — EP disclosed
EP-1718620-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 — — EP disclosed
US-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — US disclosed
WO-2006101977-A2 PYRIMIDINE COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2006-09-28 — — WO disclosed
WO-2005080350-A1 PYRIMIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 — — 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 (4 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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 KDM4E 4717/4885HSP90AA1 2422/4885NFKB1 1361/4885
US-20080058350-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES CNR2, CNR1, P2RY4 KDM4E 1477/4885HSP90AA1 3367/4885NFKB1 3978/4885
US-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK KDM4E 1405/4885HSP90AA1 2717/4885NFKB1 2846/4885
US-20080261977-A1 Pyrimidine Derivatives as Cannabinoid Receptor Modulators CNR2, CNR1, P2RY2 KDM4E 2470/4885HSP90AA1 3717/4885NFKB1 2913/4885

“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.