SCHEMBL384146

SCHEMBL384146

Nc1ncnc2c1ncn2CC(CF)OCP

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.54
ADORA1 P30542 4/20 0.54
AHCY P23526 5/20 0.53
ALDH1A1 P00352 1/20 0.51
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
CYP3A4 P08684 1/20 0.50
ADORA2B P29275 1/20 0.48
NSD2 O96028 1/20 0.45
NSD3 Q9BZ95 1/20 0.45

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
SCHEMBL6366274 1.00 ADORA2A (0.54) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL99603 0.87 AHCY (0.64) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL6363452 0.87 AHCY (0.64) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL3860366 0.84 CCNE1 (0.51) ADORA2AADORA1AHCY
SCHEMBL8620522 0.84 CCNE1 (0.51) ADORA2AADORA1AHCY
SCHEMBL9189761 0.82 ADORA2A (0.55) ADORA2AADORA1AHCYALDH1A1PI4KA
SCHEMBL384145 0.82 CYP3A4 (0.72) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL9190527 0.82 CYP3A4 (0.72) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL2928584 0.82 CYP3A4 (0.72) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL608687 0.82 CYP3A4 (0.68) ADORA2AADORA1AHCYALDH1A1PI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12397058-B2 Metabolically stable prodrugs TSRL, INC. (US) 2025-08-26 US claimed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP claimed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO claimed
EP-2223927-A2 Cyclic phosphonic acid based prodrugs of PMEA and its analogues Metabasis Therapeutics, Inc. (US) 2010-09-01 EP claimed
EP-1532157-A4 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES METABASIS THERAPEUTICS INC (US) 2009-02-25 EP claimed
US-7205404-B1 Phosphorus-containing prodrugs METABASIS THERAPEUTICS, INC. (US) 2007-04-17 US claimed
EP-1165570-B9 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2007-02-21 EP claimed
EP-1165570-B1 NOVEL PHOSPHORUS-CONTAINING PRODRUGS METABASIS THERAPEUTICS INC (US) 2006-08-23 EP claimed
EP-1532157-A2 NOVEL PHOSPHONIC ACID BASED PRODRUGS OF PMEA AND ITS ANALOGUES Metabasis Therapeutics, Inc. (US) 2005-05-25 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
EP-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 EP claimed
JP-6206888-A None JP disclosed
US-12397058-B2 Metabolically stable prodrugs TSRL, INC. (US) 2025-08-26 US disclosed
US-12378306-B2 Anti-fungal VHH antibodies Biotalys NV (BE) 2025-08-05 US disclosed
WO-2025133390-A1 ANTI-FUNGAL VHH ANTIBODIES Biotalys NV (BE) 2025-06-26 WO disclosed
US-5733896-A VIRICIDE FOR RETROVIRUS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-03-31 US disclosed
EP-0454427-B1 Antiretroviral bases ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1995-12-06 EP disclosed
JP-H06206888-A N-(3-FLUORO-2-PHOSPHONYLMETHOXYPROPYL) DERIVATIVE OF PURINE AND PYRIMIDINE HETEROCYCLIC BASES, ITS PREPARATION AND USE AKAD VED CESKE REPUBLIKY 1994-07-26 JP disclosed
EP-0454427-A1 Antiretroviral bases Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic (CZ) 1991-10-30 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 (2 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-20030229225-A1 Novel phosphonic acid based prodrugs of PMEA and its analogues MTAP, PNP, MPO ADORA2A 128/4885ADORA1 270/4885AHCY 1461/4885
US-12397058-B2 Metabolically stable prodrugs CES1, CES2, CYP2S1 ADORA2A 787/4885ADORA1 731/4885AHCY 736/4885

“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.