SCHEMBL14243750

SCHEMBL14243750

O=c1nc(NCc2cccnc2)cc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.55
▸ CYP2D6 P10635 6/20 0.55
▸ CYP2C19 P33261 6/20 0.55
▸ CLK4 Q9HAZ1 6/20 0.55
▸ CYP3A4 P08684 6/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ POLB P06746 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ LTA4H P09960 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ APAF1 O14727 1/20 0.47
▸ HK1 P19367 1/20 0.47

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
SCHEMBL23506033 0.85 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19CLK4CYP3A4
SCHEMBL417328 0.82 CLK4 (0.52) CYP1A2CYP2D6CYP2C19CLK4CYP3A4
SCHEMBL248683 0.82 ELANE (0.50) L3MBTL1KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL31119295 0.74 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19CLK4CYP3A4
SCHEMBL2128197 0.74 MEN1 (0.62) CYP1A2CYP2D6CYP2C19CLK4CYP3A4
Pyrimidine SCHEMBL28720905 0.74 CACNA1C (0.39) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL19692262 0.73 ALDH1A1 (0.33) POLBALDH1A1DYRK1A
SCHEMBL12336997 0.73 KDM4E (0.47) CLK4ALOX15POLBL3MBTL1KMT2A
SCHEMBL31119275 0.72 CYP1A2 (0.45) CYP1A2CYP2D6CYP2C19CLK4CYP3A4
SCHEMBL3948160 0.72 ALDH1A1 (0.77) CYP1A2CYP2D6CYP2C19CLK4CYP3A4

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
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
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
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
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
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
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
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

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 CYP1A2 1451/4885CYP2D6 891/4885CYP2C19 1616/4885

“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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