SCHEMBL3860366

SCHEMBL3860366

Nc1nc(N)c2ncn(C[C@@H](CF)OCP)c2n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.51
CDK2 P24941 3/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
HPRT1 P00492 6/20 0.45
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
SLC29A1 Q99808 1/20 0.39
ADORA2A P29274 2/20 0.36
ADORA1 P30542 1/20 0.36
AHCY P23526 2/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL8620522 1.00 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL465830 0.88 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL384146 0.84 ADORA2A (0.54) ADORA2AADORA1AHCY
SCHEMBL6366274 0.84 ADORA2A (0.54) ADORA2AADORA1AHCY
SCHEMBL29624179 0.82 HPRT1 (0.56) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL9189595 0.82 CCNE1 (0.49) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL3860363 0.82 HPRT1 (0.56) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL9193126 0.82 HPRT1 (0.56) CCNE1CDK2CDK1CCNB1HPRT1
SCHEMBL3857976 0.82 CCNE1 (0.57) CCNE1CDK2CDK1CCNB1HSP90AA1
SCHEMBL3856997 0.79 HPRT1 (0.71) HPRT1

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
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
US-7582758-B2 producing cyclic phosphonic acid diesters prodrugs, used to improve the oral bioavailability; by reacting a chiral 1,3-diol and an activated phosphonic acid in the presence of a Lewis acid; Adefovir drug target delivery to liver METABASIS THERAPEUTICS, INC. (US) 2009-09-01 US disclosed
EP-1753762-A1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS Metabasis Therapeutics, Inc. (US) 2007-02-21 EP disclosed
WO-2005123729-A1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS, INC. (US) 2005-12-29 WO disclosed
US-20050282782-A1 Lewis acid mediated synthesis of cyclic esters CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-12-22 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-20050282782-A1 Lewis acid mediated synthesis of cyclic esters PHOSPHO1, LPAR1, LPAR2 CCNE1 988/4885CDK2 467/4885CDK1 759/4885

“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.