SCHEMBL14713445

SCHEMBL14713445

CC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(O)c(OC)c4)ncnc32)C[C@H]1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 2/20 0.48
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ ADORA3 P0DMS8 5/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL20626494 0.93 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL20626496 0.93 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL14714116 0.93 SLC29A1 (0.47) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL14713450 0.87 SLC29A1 (0.53) SLC29A1ADORA3CYP3A4TSHRNFKB1
SCHEMBL14713459 0.87 SLC29A1 (0.48) SLC29A1PRKAG1PRKAA1PRKAB1ADORA3
SCHEMBL14713454 0.84 PAX8 (0.54) SLC29A1PAX8CCNB2CDK1CCNB1
SCHEMBL20626491 0.83 SLC29A1 (0.66) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL12579649 0.83 SLC29A1 (0.66) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL19582973 0.83 SLC29A1 (0.66) SLC29A1PRKAG1PRKAA1PRKAB1PAX8
SCHEMBL14713448 0.83 SLC29A1 (0.66) SLC29A1PRKAG1PRKAA1PRKAB1PAX8

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 1 patent. 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

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 SLC29A1 267/4885PRKAG1 115/4885PRKAA1 341/4885

“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.

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