SCHEMBL3959211

SCHEMBL3959211

CC(C)C(=O)OCC1OC(n2cc3c4c(ncnc42)NC(=O)C=C3N)C(C)(O)C1O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.39
▸ CCNT1 O60563 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ P2RY2 P41231 1/20 0.33
▸ P2RY4 P51582 1/20 0.33
▸ ADK P55263 2/20 0.32

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
SCHEMBL13904924 1.00 ADORA2A (0.39) ADORA2ACCNT1CCNKCDK7CDK9
SCHEMBL4135629 0.92 ADORA2A (0.40) ADORA2AADORA3ADORA2BADORA1P2RY2
SCHEMBL13904935 0.92 ADORA2A (0.40) ADORA2AADORA3ADORA2BADORA1P2RY2
SCHEMBL13906783 0.91 ADORA2A (0.32) ADORA2ACCNT1CCNKCDK7CDK9
SCHEMBL3951374 0.91 ADORA2A (0.32) ADORA2ACCNT1CCNKCDK7CDK9
SCHEMBL4137921 0.91 ADORA2A (0.35) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13905089 0.91 ADORA2A (0.35) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3957506 0.90 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1P2RY2
SCHEMBL13906777 0.90 ADORA2A (0.39) ADORA2AADORA3ADORA2BADORA1P2RY2
SCHEMBL13904932 0.89 CCNT1 (0.33) CCNT1CCNKCDK7CDK9CCNH

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
WO-2009029729-A1 AMINO TRICYCLIC-NUCLEOSIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2009-03-05 — — WO claimed
US-20090062223-A1 AMINO TRICYCLIC-NUCLEOSIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-03-05 — — US claimed
US-20090062223-A1 AMINO TRICYCLIC-NUCLEOSIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-03-05 — — 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-20090062223-A1 AMINO TRICYCLIC-NUCLEOSIDE COMPOUNDS, COMPOSITIONS, AND METHODS OF USE PNP, SLC29A1, SLC28A1 ADORA2A 277/4885CCNT1 671/4885CCNK 1179/4885

“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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