SCHEMBL16004356

SCHEMBL16004356

CCCCOC[C@H]1O[C@@H](n2cnc(N)nc2=O)C[C@H]1OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H]1OCCCC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
FUT5 Q11128 1/20 0.51
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
P2RY6 Q15077 1/20 0.47
NT5E P21589 1/20 0.44
P2RY1 P47900 1/20 0.44
TGM2 P21980 1/20 0.44
TERT O14746 1/20 0.43
F2 P00734 2/20 0.42
KRAS P01116 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
SCHEMBL16004525 1.00 POLB (0.52) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL17448154 0.91 POLB (0.48) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21609612 0.91 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL21609614 0.91 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924535 0.91 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL16156445 0.91 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL16156444 0.91 POLB (0.54) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924349 0.86 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924538 0.86 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6
SCHEMBL20924397 0.86 POLB (0.56) POLBFUT5P2RY2P2RY4P2RY6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160346310-A1 Drug formulations ASTEX PHARMACEUTICALS, INC. 2016-12-01 US disclosed
US-9381207-B2 Drug formulations ASTEX PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20160015805-A1 DRUG COMBINATIONS ASTEX PHARMACEUTICALS, INC. 2016-01-21 US disclosed
US-20140303107-A1 DRUG FORMULATIONS ASTEX PHARMACEUTICALS, INC. 2014-10-09 US disclosed
WO-2014134355-A1 DRUG COMBINATIONS ASTEX PHARMACEUTICALS, INC. (US) 2014-09-04 WO 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 (3 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-20140303107-A1 DRUG FORMULATIONS MCL1, DNMT3A, TET2 POLB 677/4885FUT5 3024/4885P2RY2 4299/4885
US-20160015805-A1 DRUG COMBINATIONS TET2, DCTD, TET1 POLB 785/4885FUT5 2374/4885P2RY2 4163/4885
US-20160346310-A1 Drug formulations MCL1, DNMT3A, TET2 POLB 677/4885FUT5 3024/4885P2RY2 4299/4885

“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.