SCHEMBL2049965

SCHEMBL2049965

Nc1ncnc2c1ncn2C[C@H](O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
ADORA2A P29274 8/20 0.68
ADORA1 P30542 4/20 0.68
AHCY P23526 6/20 0.66
EGFR P00533 1/20 0.56
PI4KA P42356 3/20 0.56
PI4K2B Q8TCG2 3/20 0.56
PI4K2A Q9BTU6 3/20 0.56
PI4KB Q9UBF8 3/20 0.56
CYP3A4 P08684 1/20 0.54
ADORA2B P29275 1/20 0.52
ADCY5 O95622 1/20 0.52

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
SCHEMBL2049963 1.00 ALDH1A1 (1.00) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL2049962 1.00 ALDH1A1 (1.00) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL982442 0.86 ALDH1A1 (0.76) ALDH1A1ADORA2AADORA1AHCYEGFR
Eritadenine SCHEMBL27715791 0.86 ALDH1A1 (0.76) ALDH1A1ADORA2AADORA1AHCYEGFR
Eritadenine SCHEMBL308656 0.86 ALDH1A1 (0.76) ALDH1A1ADORA2AADORA1AHCYEGFR
Eritadenine SCHEMBL3076264 0.86 ALDH1A1 (0.76) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL2270408 0.86 ALDH1A1 (0.75) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL10683911 0.86 ALDH1A1 (0.75) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL6532875 0.84 ALDH1A1 (0.73) ALDH1A1ADORA2AADORA1AHCYEGFR
SCHEMBL16603993 0.83 AHCY (0.85) ALDH1A1ADORA2AADORA1AHCYPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US claimed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP claimed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO claimed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
US-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-24 US disclosed
EP-2513298-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2012-10-24 EP disclosed
WO-2011075665-A2 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-06-23 WO disclosed
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE DELONG MITCHELL A 2010-09-09 US disclosed
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY 2009-12-24 US disclosed
EP-2038250-A2 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE AERIE PHARMACEUTICALS, INC. (US) 2009-03-25 EP disclosed
US-7306950-B2 Competitive binding with enzyme involved in metabolism of homoocysteine; permeability of erythrocyte membrane; enzyme inhibitor HEINRICH WIELAND (DE) 2007-12-11 US disclosed
WO-2006047466-A2 OPHTHAMOLOGICAL DRUGS DUKE UNIVERSITY (US) 2006-05-04 WO disclosed
US-20040138169-A1 Competitive binding with enzyme involved in metabolism of homoocysteine; permeability of erythrocyte membrane; enzyme inhibitor WIELAND, HEINRICH (DE) 2004-07-15 US disclosed
US-5872104-A BACTERICIDES AND RESISTANT BACTERIA WITH METHYLATION INHIBITORS ORIDIGM CORPORATION (US) 1999-02-16 US disclosed
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 WO disclosed
WO-1994018971-A1 D-CARBOCYCLIC-3-DEAZAADENOSINE ANALOGUES AND THEIR USE AS ANTIVIRAL AGENTS SOUTHERN RESEARCH INSTITUTE (US) 1994-09-01 WO disclosed
US-5073641-A PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1991-12-17 US disclosed
EP-0278977-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS. BUNDGAARD HANS (DK) 1988-08-24 EP disclosed
WO-1988001615-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1988-03-10 WO disclosed
US-4605658-A Antivirally active adenine derivatives CESKOSLOVENSKA AKADEMIE VED. (CS) 1986-08-12 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-20130023491-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE ADK, AHCY, IAPP ALDH1A1 3764/4885ADORA2A 169/4885ADORA1 330/4885
US-20090318542-A1 OPHTHAMOLOGICAL DRUGS QDPR, PTGIR, PDE6C ALDH1A1 711/4885ADORA2A 211/4885ADORA1 71/4885
US-20100228015-A1 PRODRUG DERIVATIVES OF ACIDS USING ALCOHOLS WITH HOMOTOPIC HYDROXY GROUPS AND METHODS FOR THEIR PREPARATION AND USE HCAR1, HCAR2, PAICS ALDH1A1 102/4885ADORA2A 631/4885ADORA1 470/4885

“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.