SCHEMBL14713431

SCHEMBL14713431

OCCN(Cc1ccccc1)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)C1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.64
ADORA2B P29275 1/20 0.64
SLC29A1 Q99808 7/20 0.63
ADORA3 P0DMS8 5/20 0.62
TP53 P04637 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
STAT6 P42226 1/20 0.62
NFKB1 P19838 3/20 0.60
TSHR P16473 3/20 0.60
ADORA1 P30542 3/20 0.60
THPO P40225 2/20 0.60
LMNA P02545 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PMP22 Q01453 2/20 0.59
GLA P06280 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NPC1 O15118 1/20 0.59
NPY1R P25929 1/20 0.59
HTT P42858 1/20 0.59
NPY2R P49146 1/20 0.59

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
SCHEMBL20626365 1.00 ADORA2A (0.64) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL27881275 1.00 ADORA2A (0.64) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL20626367 1.00 ADORA2A (0.64) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL6760479 0.94 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL14714071 0.91 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL20626265 0.91 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL13269128 0.91 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL20626257 0.91 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL14713437 0.91 ADORA2A (0.68) ADORA2AADORA2BSLC29A1ADORA3TP53
SCHEMBL20626388 0.87 SLC29A1 (0.76) ADORA2AADORA2BSLC29A1ADORA3TP53

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-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 (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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA2B 4/4885SLC29A1 267/4885

“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.