SCHEMBL750739

SCHEMBL750739

CC(=O)Nc1nc(NC(C)=O)c2ncn([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@@H]3OCc3ccccc3)c2n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.68
▸ ACHE P22303 4/20 0.57
▸ PDE2A O00408 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.43
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ NT5E P21589 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ MDM2 Q00987 1/20 0.43
▸ PGK1 P00558 3/20 0.42
▸ PGK2 P07205 3/20 0.42
▸ P2RY12 Q9H244 1/20 0.41

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
SCHEMBL9098922 0.80 PDE2A (0.65) BCHEPDE2AHTR1AADORA3NT5E
SCHEMBL11420439 0.77 PDE2A (0.61) BCHEPDE2AHTR1AADORA2ATP53
SCHEMBL11516707 0.77 ALDH1A1 (0.65) ACHEADORA3ADORA2AADORA1TP53
SCHEMBL9097705 0.76 PDE2A (0.70) BCHEACHEPDE2AHTR1AADORA3
SCHEMBL8764444 0.76 PDE2A (0.70) BCHEPDE2AHTR1AADORA3ADORA2A
SCHEMBL750344 0.76 PDE2A (0.72) BCHEPDE2AHTR1AADORA3ADORA2A
SCHEMBL8610091 0.75 TYMP (0.52) ACHEADORA3ADORA2AADORA1NT5E
SCHEMBL8611454 0.75 TYMP (0.52) ACHEADORA1NT5E
SCHEMBL2221683 0.75 ADORA2A (0.59) ADORA3ADORA2AADORA1TP53
SCHEMBL2221692 0.75 ADORA2A (0.59) ADORA3ADORA2AADORA1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430032-B1 METHOD FOR THE MANUFACTURE OF 2-FLUORO-ARA-ADENINE ALCAFLEU MAN GMBH & CO KG (DE) 2016-02-17 — — EP 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
US-5180824-A 6-AZIDO-2-FLUOROPURINE, USEFUL IN THE SYNTHESIS OF NUCLEOSIDES BERLEX BIOSCIENCES INC. (US) 1993-01-19 — — 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 BCHE 4309/4885ACHE 3676/4885PDE2A 4458/4885

“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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