SCHEMBL3512464

SCHEMBL3512464

CC=Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 7/20 0.57
ADRB1 P08588 1/20 0.57
DNMT3B Q9UBC3 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TK1 P04183 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PNP P00491 1/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3A Q14432 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
FPR2 P25090 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
SCHEMBL2293952 1.00 DNMT1 (0.57) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL5982036 1.00 DNMT1 (0.57) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL3512462 1.00 DNMT1 (0.57) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL10034024 0.89 DNMT1 (0.55) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL11314476 0.89 DNMT1 (0.55) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL11314473 0.89 DNMT1 (0.55) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL11314478 0.89 DNMT1 (0.55) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL9803687 0.89 DNMT1 (0.57) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL9803693 0.89 DNMT1 (0.57) DNMT1ADRB1DNMT3BCYP1A2CYP3A4
SCHEMBL5982338 0.89 TK1 (0.64) DNMT1ADRB1DNMT3BCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS ROCHE DIAGNOSTICS GMBH (DE) 2010-11-18 US disclosed
US-4267171-A C-5 Substituted cytosine nucleosides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1981-05-12 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-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS POLM, IGF2BP1, POLRMT DNMT1 7/4885ADRB1 4406/4885DNMT3B 47/4885

“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.