SCHEMBL14713450

SCHEMBL14713450

CC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(C)cc4)ncnc32)C[C@H]1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 3/20 0.53
▸ ADORA3 P0DMS8 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DNPH1 O43598 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
SCHEMBL20626453 0.92 SLC29A1 (0.52) SLC29A1ADORA3TSHRCYP3A4NFKB1
SCHEMBL20626449 0.92 SLC29A1 (0.52) SLC29A1ADORA3TSHRCYP3A4NFKB1
SCHEMBL14714043 0.92 SLC29A1 (0.52) SLC29A1ADORA3TSHRCYP3A4NFKB1
SCHEMBL14713459 0.88 SLC29A1 (0.48) SLC29A1ADORA3TSHRALDH1A1
SCHEMBL14713445 0.87 SLC29A1 (0.48) SLC29A1ADORA3TSHRCYP3A4NFKB1
SCHEMBL14713454 0.85 PAX8 (0.54) SLC29A1ADORA3TSHRNFKB1BLM
SCHEMBL20626278 0.80 SLC29A1 (0.47) SLC29A1ADORA3TSHRALDH1A1DNPH1
SCHEMBL20626279 0.80 SLC29A1 (0.47) SLC29A1ADORA3TSHRALDH1A1DNPH1
SCHEMBL14714122 0.80 SLC29A1 (0.47) SLC29A1ADORA3TSHRALDH1A1DNPH1
SCHEMBL20626494 0.80 SLC29A1 (0.47) SLC29A1ADORA3TSHRCYP3A4NFKB1

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 267/4885ADORA3 2/4885TSHR 3188/4885

“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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