SCHEMBL12229403

SCHEMBL12229403

OC[C@@H]1CC[C@H](n2cnc3c2N=CNC[C@H]3O)C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.40
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADCY5 O95622 1/20 0.31
AMPD3 Q01432 2/20 0.31
ADORA2B P29275 1/20 0.30

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
SCHEMBL9688919 0.76 AHCY (0.45) ADAADORA3ADORA2B
SCHEMBL9690886 0.76 AHCY (0.45) ADAADORA3ADORA2B
SCHEMBL10448915 0.76 AHCY (0.45) ADAADORA3ADORA2B
SCHEMBL13842628 0.75 ALDH1A1 (0.45) ADAADORA3ADORA2AADORA1AMPD3
SCHEMBL21133144 0.75 ALDH1A1 (0.45) ADAADORA3ADORA2AADORA1AMPD3
SCHEMBL8373036 0.75 ALDH1A1 (0.45) ADAADORA3ADORA2AADORA1AMPD3
SCHEMBL12826634 0.75 ALDH1A1 (0.45) ADAADORA3ADORA2AADORA1AMPD3
Pentostatin SCHEMBL21133143 0.74 ADA (0.57) ADAADORA3ADORA2AADORA1
Pentostatin SCHEMBL7715689 0.74 ADA (0.57) ADAADORA3ADORA2AADORA1
Pentostatin SCHEMBL7790216 0.74 ADA (0.57) ADAADORA3ADORA2AADORA1

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-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PHARMASSET, INC. (US) 2011-10-06 US disclosed
US-7393954-B2 Process for the production of pentostatin aglycone and pentostatin RELIABLE BIOPHARMACEUTICAL CORPORATION (US) 2008-07-01 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-20110245484-A1 STEREOSELECTIVE SYNTHESIS OF PHOSPHORUS CONTAINING ACTIVES PPA1, ENPP1, ITPA ADA 329/4885ADORA3 1334/4885ADORA2A 780/4885

“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.