SCHEMBL852580

SCHEMBL852580

Nc1ccccc1COc1nc2ncncc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GRIN2B Q13224 7/20 0.36
NPY5R Q15761 1/20 0.35
ATP4A P20648 2/20 0.33
ATP4B P51164 2/20 0.33
IDO1 P14902 1/20 0.32
KDM4C Q9H3R0 1/20 0.31
ENPP1 P22413 1/20 0.31
MPO P05164 3/20 0.30

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
SCHEMBL5440113 0.81 KDM4C (0.47) METAP2METAP1GRIN2BNPY5RIDO1
SCHEMBL5493570 0.78 METAP2 (0.45) METAP2METAP1GRIN2BNPY5RATP4A
SCHEMBL2894575 0.74 METAP2 (0.43) METAP2METAP1GRIN2BNPY5RKDM4C
SCHEMBL1398868 0.69 METAP2 (0.44) METAP2METAP1GRIN2BNPY5RENPP1
SCHEMBL30388675 0.66 NUDT1 (0.50) METAP2METAP1NPY5R
SCHEMBL5632 0.66 NUDT1 (0.50) METAP2METAP1NPY5R
SCHEMBL1235369 0.66 METAP2 (0.37) METAP2METAP1GRIN2BNPY5RENPP1
SCHEMBL852582 0.66 MGMT (0.46) KDM4CMPO
SCHEMBL9639615 0.66 METAP2 (0.43) METAP2METAP1GRIN2BNPY5RENPP1
SCHEMBL3179127 0.65 METAP2 (0.41) METAP2METAP1GRIN2BNPY5RENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644384-B1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF ENTECAVIR BRISTOL MYERS SQUIBB CO (US) 2012-10-31 EP disclosed
EP-2433941-A1 Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one Bristol-Myers Squibb Company (US) 2012-03-28 EP disclosed
US-7550619-B2 Intermediates in the preparation of the antiviral agent [1S-(1α, 3α, 4β)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxmethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7541460-B2 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-3-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-02 US disclosed
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one CHAN YEUNG Y 2006-05-18 US disclosed
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one PENDRI YADAGIRI R 2006-05-18 US disclosed
US-7034152-B2 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta )]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-25 US disclosed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
US-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one BRISTOL-MYERS SQUIBB COMPANY 2004-09-30 US disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO 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-20040192912-A1 Process for preparing the antiviral agent [1S-(1alpha,3 alpha,4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 METAP2 557/4885METAP1 160/4885GRIN2B 1388/4885
US-20060106216-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 METAP2 609/4885METAP1 200/4885GRIN2B 1480/4885
US-20060106215-A1 Process for preparing the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one SAMHD1, NUDT1, ENTPD1 METAP2 609/4885METAP1 200/4885GRIN2B 1480/4885

“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.