SCHEMBL886938

SCHEMBL886938

CC(OCP(=O)(O)O)n1cnc2c(N)ncnc21

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.67
ADORA2A P29274 2/20 0.56
ADORA2B P29275 2/20 0.56
ADORA1 P30542 2/20 0.56
PI4KA P42356 1/20 0.56
PI4K2B Q8TCG2 1/20 0.56
PI4K2A Q9BTU6 1/20 0.56
PI4KB Q9UBF8 1/20 0.56
FGFR1 P11362 1/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
AHCY P23526 3/20 0.48
CYP2D6 P10635 3/20 0.48
ENPP3 O14638 1/20 0.47
ENPP1 P22413 1/20 0.47
ADA P00813 1/20 0.47

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
SCHEMBL27940881 0.88 CYP3A4 (0.65) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL5030842 0.87 CYP3A4 (0.64) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL5027395 0.86 CYP3A4 (0.62) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL8897126 0.85 CYP3A4 (0.61) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL6402722 0.85 CYP3A4 (0.61) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL27653590 0.84 ADORA2A (0.54) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL8895386 0.84 CYP3A4 (0.60) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL17758842 0.83 ADORA2A (0.51) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL28451287 0.83 FGFR1 (0.59) CYP3A4ADORA2AADORA2BADORA1PI4KA
SCHEMBL27653606 0.82 ADORA2A (0.50) CYP3A4ADORA2AADORA2BADORA1PI4KA

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176743-A1 Methods for treating or preventing reactivation of a latent herpesvirus infection BETH ISRAEL DEACONESS MEDICAL CENTER 2009-07-09 US claimed
EP-1594507-A4 NOVEL ANTIHERPES DRUG COMBINATIONS UNIV MASSACHUSETTS (US) 2008-10-01 EP claimed
WO-2007016450-A2 METHODS FOR TREATING OR PREVENTING REACTIVATION OF A LATENT HERPESVIRUS INFECTION BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2007-02-08 WO claimed
EP-1594507-A2 NOVEL ANTIHERPES DRUG COMBINATIONS The University of Massachussetts (US) 2005-11-16 EP claimed
US-20040259832-A1 Novel antiherpes drug combinations NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-12-23 US claimed
WO-2004069168-A2 NOVEL ANTIHERPES DRUG COMBINATIONS UNIVERSITY OF MASSACHUSETTS (US) 2004-08-19 WO claimed
EP-2998307-B1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF BEIJING SL PHARMACEUTICAL CO LTD (CN) 2018-10-31 EP disclosed
US-9932646-B2 Detection and use of antiviral resistance mutations ABL SA (LU) 2018-04-03 US disclosed
US-9701982-B2 Variants of hepatitis B virus with resistance to anti-viral nucleoside agents and applications thereof ABL SA (LU) 2017-07-11 US disclosed
US-9702005-B2 Hepatitis B viral variants with reduced susceptibility to nucleoside analogs and uses thereof ABL SA (LU) 2017-07-11 US disclosed
US-9682109-B2 Antiviral resistance mutants and applications thereof ABL SA (LU) 2017-06-20 US disclosed
US-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Nanjing Cavendish Bio-Engineering Technology Co., Ltd. (CN) 2016-04-28 US disclosed
EP-2998307-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF Beijing Meibeita Drug Res Co., Ltd (CN) 2016-03-23 EP disclosed
EP-1060182-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS Metabasis Therapeutics, Inc. (US) 2000-12-20 EP disclosed
WO-1999045016-A9 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS INC (US) 2000-03-02 WO disclosed
WO-1999045016-A2 NOVEL PRODRUGS FOR PHOSPHORUS-CONTAINING COMPOUNDS METABASIS THERAPEUTICS, INC. (US) 1999-09-10 WO disclosed
EP-0206459-B1 9-(PHOSPHONYLMETHOXYALKYL) ADENINES, METHOD FOR THEIR PREPARATION AND THEIR USE Ceskoslovenska akademie ved (CS) 1992-07-15 EP disclosed
EP-0253412-B1 N-PHOSPHONYLMETHOXYALKYL DERIVATIVES OF PYRIMIDINE AND PURINE BASES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREFROM WITH ANTIVIRAL ACTIVITY Ceskoslovenska akademie ved (CS) 1990-10-31 EP disclosed
US-4808716-A VIRICIDES OR CHEMICAL INTERMEDIATES CESKOSLOVENSKA AKADEMIC VED (CS) 1989-02-28 US disclosed
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 EP 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-20160115186-A1 PHOSPHORIC ACID/PHOSPHONIC ACID DERIVATIVES AND MEDICINAL USES THEREOF P2RY1, SQLE, PHOSPHO1 CYP3A4 792/4885ADORA2A 151/4885ADORA2B 165/4885

“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.