SCHEMBL3857976

SCHEMBL3857976

CC(Cn1cnc2c(N)nc(N)nc21)OCP

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 4/20 0.57
CDK2 P24941 4/20 0.57
CDK1 P06493 3/20 0.57
CCNB1 P14635 3/20 0.57
CYP3A4 P08684 8/20 0.48
SLC29A1 Q99808 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP2D6 P10635 7/20 0.40
CYP1A2 P05177 2/20 0.40
FAP Q12884 1/20 0.39
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL3305032 0.83 CYP3A4 (0.68) CYP3A4ADORA2AADORA1CYP2D6FAP
SCHEMBL608687 0.83 CYP3A4 (0.68) CYP3A4ADORA2AADORA1CYP2D6FAP
SCHEMBL3860366 0.82 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL8620522 0.82 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1SLC29A1
SCHEMBL465830 0.82 CCNE1 (0.51) CCNE1CDK2CDK1CCNB1CYP3A4
SCHEMBL4312545 0.82 CYP3A4 (0.73) CCNE1CDK2CDK1CCNB1CYP3A4
SCHEMBL30515122 0.82 CYP3A4 (0.73) CCNE1CDK2CDK1CCNB1CYP3A4
SCHEMBL1032335 0.82 CYP3A4 (0.73) CCNE1CDK2CDK1CCNB1CYP3A4
SCHEMBL173030 0.82 CYP3A4 (0.73) CCNE1CDK2CDK1CCNB1CYP3A4
Water SCHEMBL28104578 0.82 CYP3A4 (0.67) CYP3A4ADORA2AADORA1CYP2D6FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093816-A Cationic lipids ISIS PHARMACEUTICALS, INC. (US) 2000-07-25 US claimed
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
EP-2707004-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FELINE RETROVIRAL INFECTIONS Okapi Sciences NV (BE) 2014-03-19 EP disclosed
US-20140073607-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FELINE RETROVIRAL INFECTIONS OKAPI SCIENCES NV (BE) 2014-03-13 US disclosed
WO-2012152317-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FELINE RETROVIRAL INFECTIONS OKAPI SCIENCES NV (BE) 2012-11-15 WO 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
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 US disclosed
WO-2004076687-A1 METHOD FOR DETERMINING ANTIVIRAL ACTIVITY OF AHPS RELATED COMPOUNDS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2004-09-10 WO disclosed
EP-1452605-A1 Method for determining antiviral activity Universiteit Utrecht Holding B.V. (NL) 2004-09-01 EP disclosed
US-5686629-A CHEMICAL INTERMEDIATES GILEAD SCIENCES, INC. (US) 1997-11-11 US disclosed
US-5514798-A REACTION OF CYCLIC CARBONATE WITH PURINE OR PYRIMIDINE BASE IN SOLVENT AND CRYSTALLIZATION GILEAD SCIENCES, INC. (US) 1996-05-07 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 (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-20050282782-A1 Lewis acid mediated synthesis of cyclic esters PHOSPHO1, LPAR1, LPAR2 CCNE1 988/4885CDK2 467/4885CDK1 759/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 CCNE1 2846/4885CDK2 449/4885CDK1 2011/4885
US-20140073607-A1 COMPOUNDS FOR USE IN THE TREATMENT OF FELINE RETROVIRAL INFECTIONS PIGO, CAT, FLI1 CCNE1 1921/4885CDK2 963/4885CDK1 3041/4885

“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.