SCHEMBL750344

SCHEMBL750344

Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 8/20 0.72
▸ HTR1A P08908 1/20 0.55
▸ NT5E P21589 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ ADORA2A P29274 5/20 0.51
▸ ADORA2B P29275 4/20 0.51
▸ CA5A P35218 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ ADORA3 P0DMS8 3/20 0.45
▸ ADORA1 P30542 3/20 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
SCHEMBL8764444 0.91 PDE2A (0.70) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL11420439 0.90 PDE2A (0.61) PDE2AHTR1AADORA2AADORA2BBCHE
SCHEMBL11427985 0.87 PDE2A (0.64) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL5961364 0.87 PDE2A (0.64) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL6306348 0.86 PDE2A (0.61) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL6306351 0.86 PDE2A (0.61) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL11121799 0.83 PDE2A (0.59) PDE2AHTR1ANT5EADORA2AADORA2B
SCHEMBL6293320 0.83 HTR1A (0.56) PDE2AHTR1ABCHE
SCHEMBL9097705 0.82 PDE2A (0.70) PDE2AHTR1ANT5ELMNABCHE
SCHEMBL11126005 0.81 PDE2A (0.56) PDE2AHTR1AADORA2AADORA2BBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6073087-A — — None — — JP disclosed
JP-7138280-A — — None — — JP disclosed
US-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2012-08-30 — — US disclosed
EP-2430032-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE Alcafleu Management GmbH & Co. KG (DE) 2012-03-21 — — EP disclosed
WO-2010130778-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MANAGEMENT GMBH & CO. KG (DE) 2010-11-18 — — WO disclosed
EP-0578208-B1 Process for the preparation of 2-fluoro-9-(2,3,5-tri-O-benzyl-beta-arabinofuranozyl)adenine ASH STEVENS INC (US) 1995-12-27 — — EP disclosed
JP-H07138280-A PRODUCTION OF 9-BETA-D-ARABINOFURANOSYL-2-FLUOROADENINE ASH STEVENS INC 1995-05-30 — — JP disclosed
US-5296589-A Dissolving in nonreactive solvent, reacting with hydrogen, palladium chloride, hydrochloric acid in sealed vessel at elevated pressure, removing palladium chloride, neutralizing, separating product ASH STEVENS, INC. (US) 1994-03-22 — — US disclosed
JP-H0673087-A IMPROVED METHOD ASH STEVENS INC 1994-03-15 — — JP disclosed
EP-0578208-A1 Process for the preparation of 2-fluoro-9-(2,3,5-tri-O-benzyl-beta-arabinofuranozyl)adenine ASH STEVENS, INC. (US) 1994-01-12 — — EP disclosed
US-5252540-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-10-12 — — US disclosed
US-5180824-A 6-AZIDO-2-FLUOROPURINE, USEFUL IN THE SYNTHESIS OF NUCLEOSIDES BERLEX BIOSCIENCES INC. (US) 1993-01-19 — — US disclosed
US-4210745-A Procedure for the preparation of 9-β-D-arabinofuranosyl-2-fluoroadenine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH, EDUCATION AND WELFARE (US) 1980-07-01 — — 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 (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-20120220762-A1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE CD38, FLAD1, GART PDE2A 4458/4885HTR1A 3247/4885NT5E 1122/4885

“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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