SCHEMBL2463444

SCHEMBL2463444

CC(=O)c1cn(CO)c(=O)nc1NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ MAPK1 P28482 3/20 0.53
▸ USP2 O75604 1/20 0.53
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ APP P05067 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ JAK3 P52333 1/20 0.42
▸ ITGB3 P05106 5/20 0.41
▸ ITGAV P06756 5/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL2460686 0.81 REN (0.47) ALDH1A1MAPK1HTTLMNAMAPT
SCHEMBL23142405 0.71 ALDH1A1 (0.51) ALDH1A1ALOX15MAPK1USP2ITGB3
SCHEMBL19663379 0.68 ALDH1A1 (0.53) ALDH1A1ALOX15MAPK1USP2LMNA
SCHEMBL7834038 0.66 KDM5B (0.58) ALDH1A1ALOX15MAPK1USP2HTT
SCHEMBL2616458 0.66 HSD17B10 (0.61) ALDH1A1HTTMAPTMEN1POLB
Ammonia Solution, Strong SCHEMBL27649502 0.65 KDM5B (0.57) ALDH1A1ALOX15MAPK1USP2HTT
SCHEMBL11485899 0.63 ALDH1A1 (0.59) ALDH1A1ALOX15MAPK1HTTLMNA
SCHEMBL17450223 0.62 CDK1 (0.60) ALDH1A1ALOX15MAPK1MAPTSMN1; SMN2
SCHEMBL15307195 0.62 CYP1A2 (0.48) ALDH1A1ALOX15MAPK1USP2HTT
SCHEMBL3385212 0.62 KDM4E (0.55) ALDH1A1ATMAPPACHEKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2556081-B1 A CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION INST CHEMII BIOORGANICZNEJ PAN (PL) 2021-06-16 — — EP disclosed
US-9040490-B2 Cytosine analogue, a method of preparation of a cytosine analogue, a DNA methyltransferase 1 inhibitor, a method for DNA methylation inhibition, the use of the analogue in the treatment of diseases associated with deviations from normal DNA methylation INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2015-05-26 — — US disclosed
EP-2556081-A2 A CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION Instytut Chemii Bioorganicznej PAN (PL) 2013-02-13 — — EP disclosed
US-20120322755-A1 CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2012-12-20 — — US disclosed
WO-2011115513-A2 A CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION INSTYTUT CHEMII BIOORGANICZNEJ PAN (PL) 2011-09-22 — — 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 (1 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-20120322755-A1 CYTOSINE ANALOGUE, A METHOD OF PREPARATION OF A CYTOSINE ANALOGUE, A DNA METHYLTRANSFERASE 1 INHIBITOR, A METHOD FOR DNA METHYLATION INHIBITION, THE USE OF THE ANALOGUE IN THE TREATMENT OF DISEASES ASSOCIATED WITH DEVIATIONS FROM NORMAL DNA METHYLATION DNMT1, DIMT1, TPMT ALDH1A1 792/4885ALOX15 4074/4885MAPK1 3223/4885

“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.

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