SCHEMBL14713231

SCHEMBL14713231

OC[C@H]1O[C@@H](n2cnc3c(NCc4cccs4)ncnc32)C(O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 1.00
SLC29A1 Q99808 4/20 1.00
TP53 P04637 3/20 0.74
TDP1 Q9NUW8 1/20 0.74
PAX8 Q06710 3/20 0.70
SMN1; SMN2 Q16637 1/20 0.70
MITF O75030 1/20 0.70
LMNA P02545 1/20 0.70
ADORA2A P29274 3/20 0.69
ADORA1 P30542 3/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
STAT6 P42226 1/20 0.69
GMNN O75496 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
ADORA2B P29275 1/20 0.67

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
SCHEMBL20626176 1.00 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL14713272 1.00 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL20626177 1.00 ADORA3 (1.00) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL27429961 0.91 ADORA3 (0.83) ADORA3SLC29A1TP53TDP1LMNA
SCHEMBL6760931 0.91 ADORA3 (0.83) ADORA3SLC29A1TP53TDP1LMNA
SCHEMBL19991754 0.87 ADORA3 (0.77) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL1797170 0.87 ADORA3 (0.76) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL1795974 0.86 ADORA3 (0.75) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL1797185 0.86 ADORA3 (0.75) ADORA3SLC29A1TP53TDP1PAX8
SCHEMBL30519261 0.86 ADORA3 (0.75) ADORA3SLC29A1TP53TDP1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ACADEMIA SINICA (TW) 2016-09-15 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 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 (2 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-20160264613-A1 COMPOUNDS FOR USE IN PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES AND PAIN ADORA2A, ADORA3, ADORA2B ADORA3 2/4885SLC29A1 340/4885TP53 2705/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA3 2/4885SLC29A1 267/4885TP53 3945/4885

“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.