SCHEMBL4745554

SCHEMBL4745554

Nc1ncnc2c1ncn2[C@H]1CC(F)[C@@H](CO)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.61
▸ ERBB2 P04626 1/20 0.61
▸ ADA P00813 1/20 0.61
▸ ADORA3 P0DMS8 4/20 0.59
▸ ADORA2A P29274 3/20 0.59
▸ ADORA2B P29275 3/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ PI4KA P42356 2/20 0.59
▸ PI4K2B Q8TCG2 2/20 0.59
▸ PI4K2A Q9BTU6 2/20 0.59
▸ PI4KB Q9UBF8 2/20 0.59
▸ ADORA1 P30542 2/20 0.59
▸ DPP4 P27487 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ SLC28A1 O00337 1/20 0.59
▸ MAP3K7 O43318 1/20 0.59
▸ SLC28A2 O43868 1/20 0.59
▸ GAPDH P04406 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ STAT6 P42226 1/20 0.59

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
SCHEMBL21133221 1.00 EGFR (0.61) EGFRERBB2ADAADORA3ADORA2A
SCHEMBL28449986 1.00 EGFR (0.61) EGFRERBB2ADAADORA3ADORA2A
SCHEMBL27272946 1.00 EGFR (0.61) EGFRERBB2ADAADORA3ADORA2A
SCHEMBL4745556 1.00 EGFR (0.61) EGFRERBB2ADAADORA3ADORA2A
SCHEMBL5199003 0.87 HIF1A (0.56) EGFRERBB2ADAHIF1A
SCHEMBL5198998 0.87 HIF1A (0.56) EGFRERBB2ADAHIF1A
SCHEMBL23982189 0.87 ADA (0.62) EGFRERBB2ADAADORA3ADORA2A
Deoxyadenosine SCHEMBL12222478 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BSMN1; SMN2
Deoxyadenosine SCHEMBL21637036 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BSMN1; SMN2
Deoxyadenosine SCHEMBL19877 0.87 HIF1A (0.71) ADAADORA3ADORA2AADORA2BSMN1; 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 — — US claimed
US-6599887-B2 Aids, herpes virus CHIMERIX, INC. 2003-07-29 — — US claimed
US-6448392-B1 LIPID, ESPECIALLY PHOSPHOLIPID, DERIVATIVES OF MODIFIED ANTIVIRAL NUCLEOSIDE ANALOGUES CAN BE INTEGRATED INTO STRUCTURE OF LIPOSOMES, FORMING STABLE LIPOSOMAL COMPLEX, DELIVER GREATER AMOUNTS OF DRUGS TO CELLS WITH LESS TOXICITY CHIMERIX, INC. 2002-09-10 — — US claimed
US-6372725-B1 VIRICIDES, ANTICARCINOGENIC AND ANTITUMOR AGENTS; SIDE EFFECT REDUCTION HEIDELBERG PHARMA HOLDING GMBH (DE) 2002-04-16 — — US claimed
EP-0817790-B1 SPECIFIC LIPID CONJUGATES OF NUCLEOSIDE DIPHOSPHATES AND THEIR USE AS DRUGS HEIDELBERG PHARMA HOLDING GMBH (DE) 2001-11-14 — — EP claimed
EP-0545966-B1 NEW PHOSPHOLIPID DERIVATIVES OF NUCLEOSIDES, THEIR PREPARATION AND THEIR USE AS ANTIVIRAL DRUGS BOEHRINGER MANNHEIM GMBH (DE) 1994-11-23 — — EP claimed
EP-3233878-B1 PHOSPHORAMIDATES FOR THE TREATMENT OF HEPATITIS B VIRUS UNIV EMORY (US) 2025-09-03 — — EP disclosed
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 — — US disclosed
US-9044509-B2 Inhibition of HIV infection through chemoprophylaxis THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-06-02 — — US disclosed
US-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS ARDEA BIOSCIENCES, INC. (US) 2008-10-09 — — US disclosed
WO-2008118879-A2 ANTIVIRAL COMPOSITIONS COMPRISING 2 COMPOUNDS ARDEA BIOSCIENCES, INC. (US) 2008-10-02 — — WO disclosed
EP-1816135-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof Ajinomoto Co., Inc. (JP) 2007-08-08 — — EP disclosed
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof AJINOMOTO CO. INC. (JP) 2007-08-02 — — US disclosed
WO-1994027616-A1 L-2',3'-DIDEOXY NUCLEOSIDE ANALOGS AS ANTI-HEPATITIS B (HBV) AND ANTI-HIV AGENTS YALE UNIVERSITY (US) 1994-12-08 — — WO disclosed
EP-0355135-B1 ADENOSINE DEAMINASE-STABLE ANTI-RETROVIRAL NUCLEOSIDES SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1993-08-04 — — EP disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 — — EP disclosed
EP-0277151-B1 NOVEL MEDICINAL USE OF NUCLEOSIDES Medivir Aktiebolag (SE) 1991-10-16 — — EP disclosed
US-4997926-A Viricides SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1991-03-05 — — US disclosed
EP-0277151-A1 NOVEL MEDICINAL USE OF NUCLEOSIDES. MEDIVIR AB (SE) 1988-08-10 — — EP disclosed
WO-1988000050-A1 NOVEL MEDICINAL USE OF NUCLEOSIDES Astra Läkemedel Aktiebolag (SE) 1988-01-14 — — 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-20080249066-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS PNP, TYMP, MTAP EGFR 4693/4885ERBB2 4838/4885ADA 11/4885
US-20070179290-A1 Production method of fluorinated purine nucleoside derivative, intermediate therefor and production method thereof PNP, NUDT1, ADAR EGFR 4744/4885ERBB2 4876/4885ADA 27/4885
US-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION CYP11B1, CYP51A1, CYP11B2 EGFR 2640/4885ERBB2 3967/4885ADA 2971/4885

“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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