SCHEMBL4241346

SCHEMBL4241346

CC(OCP(=O)(O)O)c1nc(N)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
FGFR1 P11362 1/20 0.35
HPRT1 P00492 13/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
TYMP P19971 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3878324 0.86 CYP3A4 (0.35) CYP3A4HPRT1SMN1; SMN2
SCHEMBL4364337 0.82 CDK1 (0.36) SMN1; SMN2
SCHEMBL28492789 0.81 CYP3A4 (0.42) CYP3A4HPRT1TYMPSMN1; SMN2
SCHEMBL2824954 0.81 CYP3A4 (0.42) CYP3A4HPRT1TYMPSMN1; SMN2
SCHEMBL4241363 0.81 PDPK1 (0.42) CYP3A4FGFR1
SCHEMBL2250902 0.80 FGFR1 (0.40) CYP3A4FGFR1HPRT1SLC22A6TYMP
SCHEMBL7165315 0.77 CDK1 (0.31)
SCHEMBL6334774 0.77 HPRT1 (0.34) CYP3A4FGFR1HPRT1SLC22A6
SCHEMBL9621984 0.75 CDK1 (0.33)
SCHEMBL6267281 0.74 USP2 (0.30) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647272-B1 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF UNIV NEW YORK (US) 2003-07-30 EP claimed
EP-0647272-A1 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF NEW YORK UNIVERSITY (US) 1995-04-12 EP claimed
EP-0647272-A4 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF. UNIV NEW YORK (US) 1994-10-20 EP claimed
WO-1993004085-A1 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF NEW YORK UNIVERSITY (US) 1993-03-04 WO claimed
US-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2009-06-18 US disclosed
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders IDENIX PHARMACEUTICALS, INC. 2008-10-23 US disclosed
WO-2006130217-A2 SUBSTITUTED PHOSPHATE ESTERS OF NUCLEOSIDE PHOSPHONATES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-12-07 WO disclosed
EP-0837677-B1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIV NORTH CAROLINA (US) 2006-03-29 EP disclosed
EP-0857018-B1 BETULINIC ACID DERIVATIVES AND USES THEREFOR UNIV NORTH CAROLINA (US) 2004-09-15 EP disclosed
EP-1397957-A2 Betulinic acid derivatives and uses therefor The University of North Carolina at Chapel Hill (US) 2004-03-17 EP disclosed
EP-0647272-B1 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF UNIV NEW YORK (US) 2003-07-30 EP disclosed
EP-0857018-A4 BETULINIC ACID DERIVATIVES AND USES THEREFOR UNIV NORTH CAROLINA (US) 2002-10-23 EP disclosed
US-5312837-A Method of treating viral infections with aryl macrocyclic compounds GENELABS TECHNOLOGIES, INC. (US) 1994-05-17 US disclosed
WO-1994003164-A1 INHIBITION AND TREATMENT OF INFECTION BY ENVELOPED VIRUS WITH CALIX(N) ARENE COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 1994-02-17 WO disclosed
EP-0569533-A1 ARYL MACROCYCLIC COMPOSITIONS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 1993-11-18 EP disclosed
WO-1993018763-A1 COMPOSITIONS OF N-(PHOSPHONOACETYL)-L-ASPARTIC ACID AND METHODS OF THEIR USE AS BROAD SPECTRUM ANTIVIRALS U.S. BIOSCIENCE, INC. (US) 1993-09-30 WO disclosed
US-5196452-A Macrocyclic anti-viral compound and method GENELABS INCORPORATED (US) 1993-03-23 US disclosed
WO-1993004085-A1 ANTI-HIV PROTEINS GAP 31, DAP 30 AND DAP 32, DNA CODING THEREFOR AND THERAPEUTIC USES THEREOF NEW YORK UNIVERSITY (US) 1993-03-04 WO disclosed
US-5166173-A Macrocyclic chromotropic sulfur acids with polar substituents GENELABS INCORPORATED (US) 1992-11-24 US disclosed
WO-1992012709-A1 ARYL MACROCYCLIC COMPOSITIONS FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 1992-08-06 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 (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-20090156545-A1 Substituted Phosphate Esters of Nucleoside Phosphonates PNP, TYMP, ENPP1 CYP3A4 3081/4885FGFR1 1039/4885HPRT1 73/4885
US-20080261913-A1 Phosphoroamidate conjugated to therapeutic agent such as Aclarubicin; nucleoside derivatives; S-pivaloyl-2-thioethyl phosphoroamidate; liver cancer, inflammation, fibrosis, metabolic disorders NTPCR, PNP, TYMP CYP3A4 3582/4885FGFR1 876/4885HPRT1 124/4885

“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.