Pentostatin

Pentostatin

SCHEMBL14190839

OC[C@@H]1OC(n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADA

The experimentally established mechanism targets of Pentostatin. 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
ADA known ✓ P00813 2/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
PIM1 P11309 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CSNK2B P67870 1/20 0.51
CSNK2A1 P68400 1/20 0.51
CSNK2A3 Q8NEV1 1/20 0.51
ADRB1 P08588 1/20 0.48
DNMT1 P26358 1/20 0.48
HIF1A Q16665 1/20 0.45
PNP P00491 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 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
Pentostatin SCHEMBL12202591 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL2817 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL14514128 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL2819465 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL7715689 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL2353499 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL7790216 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL14105501 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL21133143 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1
Pentostatin SCHEMBL18402543 1.00 ADA (0.57) ADAADORA3ADORA2AADORA1PIM1

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-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 US disclosed
US-20080112888-A1 IGFBP2 BIOMARKER SCHERING CORPORATION 2008-05-15 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-20080112888-A1 IGFBP2 BIOMARKER IGFBP2, IGFBP1, IGFBP5 ADA 3530/4885ADORA3 3406/4885ADORA2A 2636/4885

“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.