SCHEMBL608687

SCHEMBL608687

CC(Cn1cnc2c(N)ncnc21)OCP

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.68
▸ ADORA2A P29274 4/20 0.64
▸ ADORA1 P30542 3/20 0.64
▸ PI4KA P42356 2/20 0.56
▸ PI4K2B Q8TCG2 2/20 0.56
▸ PI4K2A Q9BTU6 2/20 0.56
▸ PI4KB Q9UBF8 2/20 0.56
▸ AHCY P23526 2/20 0.56
▸ CYP2D6 P10635 9/20 0.55
▸ FAP Q12884 1/20 0.54
▸ ADORA2B P29275 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53

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 1.00 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104561 0.99 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
Water SCHEMBL28104578 0.99 CYP3A4 (0.67) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15045890 0.88 CYP3A4 (0.70) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15257613 0.86 CYP3A4 (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL19831528 0.86 ADORA2A (0.68) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL10015788 0.85 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1249908 0.85 ADORA2A (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL15161690 0.84 CYP3A4 (0.69) CYP3A4ADORA2AADORA1PI4KAPI4K2B
SCHEMBL28664282 0.84 CYP3A4 (0.65) CYP3A4ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504014-B1 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA METABASIS THERAPEUTICS INC (US) 2015-12-02 — — EP claimed
EP-2509949-B1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIV GEORGIA (US) 2014-04-23 — — EP claimed
US-8703801-B2 Pyridinone hydroxycyclopentyl carboxamides: HIV integrase inhibitors with therapeutic applications UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-04-22 — — US claimed
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION INC. (US) 2012-11-08 — — US claimed
EP-2509949-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS University Of Georgia Research Foundation, Inc. (US) 2012-10-17 — — EP claimed
WO-2011071849-A2 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2011-06-16 — — WO claimed
EP-2223927-A2 Cyclic phosphonic acid based prodrugs of PMEA and its analogues Metabasis Therapeutics, Inc. (US) 2010-09-01 — — EP claimed
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION (US) 2010-04-15 — — US claimed
EP-2046328-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-04-15 — — EP claimed
EP-1532157-A4 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES METABASIS THERAPEUTICS INC (US) 2009-02-25 — — EP claimed
EP-1504014-A2 PROCESS FOR PREPARATION OF CYCLIC PRODRUGS OF PMEA AND PMPA Metabasis Therapeutics, Inc. (US) 2005-02-09 — — EP claimed
WO-2004037161-A2 CYCLIC PRODRUGS OF PMEA ONE OF ITS ANALOGUES METABASIS THERAPEUTICS, INC. (US) 2004-05-06 — — WO claimed
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. 2003-12-11 — — US claimed
US-20030225277-A1 Process for preparation of cyclic prodrugs of PMEA and PMPA METABASIS THERAPEUTICS, INC. 2003-12-04 — — US claimed
WO-2003095665-A2 PMEA AND PMPA CYCLIC PRODUCING SYNTHESIS METABASIS THERAPEUTICS, INC. (US) 2003-11-20 — — WO claimed
US-6093816-A Cationic lipids ISIS PHARMACEUTICALS, INC. (US) 2000-07-25 — — US claimed
US-6060463-A Treatment of conditions of abnormally increased intraocular pressure by administration of phosphonylmethoxyalkyl nucleoside analogs and related nucleoside analogs Freeman, William (US) 2000-05-09 — — US claimed
US-5869468-A Treatment of conditions of abnormally increased intraocular pressure by administration of phosphonylmethoxyalkyl nucleoside analogs and related nucleoside analogs FREEMAN WILLIAM R (US) 1999-02-09 — — US claimed
EP-0754046-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN, William R. (US) 1997-01-22 — — EP claimed
WO-1995026734-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN WILLIAM R (US) 1995-10-12 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20030225277-A1 Process for preparation of cyclic prodrugs of PMEA and PMPA MPO, PNP, MAOA CYP3A4 472/4885ADORA2A 497/4885ADORA1 666/4885
US-20100092427-A1 Pyridinone Diketo Acids: Inhibitors of HIV Replication in Combination Therapy TKT, DHFR, DTYMK CYP3A4 355/4885ADORA2A 1021/4885ADORA1 534/4885
US-20120282218-A1 PYRIDINONE HYDROXYCYCLOPENTYL CARBOXAMIDES: HIV INTEGRASE INHIBITORS WITH THERAPEUTIC APPLICATIONS PAICS, DUT, AADAC CYP3A4 347/4885ADORA2A 651/4885ADORA1 272/4885
US-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO CYP3A4 797/4885ADORA2A 128/4885ADORA1 270/4885

“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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