SCHEMBL17461987

SCHEMBL17461987

CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C(O)(O)C2O[Si](C(C)C)(C(C)C)O1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ P2RY6 Q15077 2/20 0.40
▸ P2RY14 Q15391 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.31
▸ ST6GAL1 P15907 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HTR1B P28222 1/20 0.31
▸ HTR1F P30939 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ P2RY12 Q9H244 1/20 0.30

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
SCHEMBL13672350 0.93 ABL1 (0.44) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13151567 0.93 ABL1 (0.44) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13672349 0.93 ABL1 (0.44) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL7131156 0.87 ABL1 (0.41) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL12452560 0.86 ABL1 (0.40) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13672345 0.83 ABL1 (0.47) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL6365808 0.83 P2RY6 (0.47) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13672352 0.83 P2RY6 (0.47) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL12452563 0.83 ABL1 (0.47) ABL1RIN1POLBP2RY6P2RY14
SCHEMBL13151571 0.83 P2RY6 (0.47) ABL1RIN1POLBP2RY6P2RY14

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-20160024061-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES PHARMASSET, INC. 2016-01-28 — — 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-20160024061-A1 PREPARATION OF 2'-FLUORO-2'-ALKYL-SUBSTITUTED OR OTHER OPTIONALLY SUBSTITUTED RIBOFURANOSYL PYRIMIDINES AND PURINES AND THEIR DERIVATIVES NSUN2, FBL, RNGTT ABL1 1828/4885RIN1 2398/4885POLB 284/4885

“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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