Decitabine

Decitabine

SCHEMBL3395829

CCCC(=O)O.Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DNMT1DNMT3A

The experimentally established mechanism targets of Decitabine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 known ✓ P26358 6/20 0.80
ADRB1 P08588 1/20 0.80
LMNA P02545 2/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 2/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
MTOR P42345 1/20 0.51
RAB9A P51151 1/20 0.51
BLM P54132 1/20 0.51
HBB P68871 1/20 0.51
PMP22 Q01453 1/20 0.51
PNP P00491 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PIM1 P11309 1/20 0.44

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
Decitabine SCHEMBL3396354 0.94 DNMT1 (0.87) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL3394324 0.93 DNMT1 (0.75) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL3393823 0.93 DNMT1 (0.85) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL3394115 0.91 DNMT1 (0.89) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL20772029 0.90 DNMT1 (0.97) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL20769771 0.89 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL117721 0.89 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL20651628 0.89 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL12800474 0.89 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT
Decitabine SCHEMBL661233 0.89 DNMT1 (1.00) DNMT1ADRB1LMNATP53HTT

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
US-20100062992-A1 Salts of 5-Azacytidine SUPERGEN, INC. (US) 2010-03-11 US disclosed
EP-1793675-A2 SALTS OF DECITABINE SuperGen, Inc. (US) 2007-06-13 EP disclosed
EP-1788874-A2 SALTS OF 5-AZACYTIDINE SuperGen, Inc. (US) 2007-05-30 EP disclosed
WO-2006037024-A2 SALTS OF DECITABINE SUPERGEN, INC. (US) 2006-04-06 WO disclosed
US-20060074046-A1 Oral administration of decitabine salt SUPERGEN, INC. 2006-04-06 US disclosed
WO-2006034154-A2 SALTS OF 5-AZACYTIDINE SUPERGEN, INC. (US) 2006-03-30 WO disclosed
US-20060069060-A1 Salts of decitabine SUPERGEN, INC. 2006-03-30 US disclosed
US-20060063735-A1 Salts of 5-azacytidine SUPERGEN, INC. (US) 2006-03-23 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 (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-20060074046-A1 Oral administration of decitabine salt DNMT3A, TET2, TET3 DNMT1 5/4885ADRB1 4217/4885LMNA 2871/4885
US-20100062992-A1 Salts of 5-Azacytidine AZI2, TET2, DNMT3A DNMT1 4/4885ADRB1 4281/4885LMNA 3648/4885
US-20060069060-A1 Salts of decitabine DNMT3A, TET2, DNMT1 DNMT1 3/4885ADRB1 4545/4885LMNA 2268/4885
US-20060063735-A1 Salts of 5-azacytidine AZI2, TET2, DNMT3A DNMT1 4/4885ADRB1 4281/4885LMNA 3648/4885

“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.