SCHEMBL1628817

SCHEMBL1628817

O=c1cc(Cc2ccccc2)nc[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.55
RIN1 Q13671 2/20 0.55
POLB P06746 1/20 0.49
IP6K1 Q92551 4/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
HTR2B P41595 1/20 0.43
NSD2 O96028 1/20 0.42
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAOB P27338 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BACE1 P56817 1/20 0.41
AKR1C3 P42330 1/20 0.40
MET P08581 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CAPN1 P07384 1/20 0.39
DAO P14920 1/20 0.39

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
SCHEMBL12042986 0.84 IP6K1 (0.59) ABL1RIN1IP6K1IP6K3IP6K2
SCHEMBL1366430 0.72 ABL1 (0.55) ABL1RIN1POLBIP6K1IP6K3
SCHEMBL1628815 0.71 HRH3 (0.53) ABL1RIN1IP6K1IP6K3IP6K2
SCHEMBL5741452 0.70 GABRR1 (0.50) ABL1RIN1POLBIP6K1IP6K3
SCHEMBL38666165 0.70 ABL1 (0.36) ABL1RIN1POLBAKR1C3MET
SCHEMBL415622 0.70 CALM1 (0.50) POLBHTR2BL3MBTL1MAOBTAAR1
SCHEMBL649075 0.69 ALDH1A1 (0.46) POLBHTR2BL3MBTL1TAAR1HRH3
SCHEMBL8136730 0.69 L3MBTL1 (0.43) POLBHTR2BL3MBTL1MAOBTAAR1
SCHEMBL5907152 0.69 BACE1 (0.74) POLBBACE1
SCHEMBL3989724 0.68 ABL1 (0.54) ABL1RIN1POLBNSD2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO claimed
EP-3125894-B1 PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2020-09-09 EP disclosed
EP-1572095-B1 BETA-L-2'-DEOXYNUCLEOSIDES FOR USE IN THE TREATMENT OF RESISTANT HBV STRAINS NOVARTIS AG (CH) 2015-06-10 EP disclosed
US-8158606-B2 β-L-2′-deoxynucleosides for the treatment of resistant HBV strains and combination therapies NOVARTIS, AG (CH) 2012-04-17 US disclosed
US-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2011-07-14 US disclosed
US-7928086-B2 Administering a beta -L-2'-deoxynucleoside or its pharmaceutically acceptable salt, ester or prodrug therapy of a host infected with a drug-resistant form of HBV that exhibits a mutation at the 552 codon from methionine to valine in the DNA polymerase region NOVARTIS AG (CH) 2011-04-19 US disclosed
CN-100536853-C beta-L-2' -deoxynucleosides for the treatment of resistant HBV strains and combination therapy IDENIX CAYMAN LTD (VG) 2009-09-09 CN disclosed
US-7585851-B2 3′-prodrugs of 2′-deoxy-β-L-nucleosides IDENIX PHARMACEUTICALS, INC. (US) 2009-09-08 US disclosed
EP-1572095-A4 S-L-2 -DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES NOVARTIS AG (CH) 2008-11-05 EP disclosed
EP-1296995-B1 3'-PRODRUGS OF 2'-DEOXY-BETA-L-NUCLEOSIDES IDENIX CAYMAN LTD (KY) 2008-10-15 EP disclosed
WO-2001096353-A2 3'-PRODRUGS OF 2'-DEOXY-β-L-NUCLEOSIDES IDENIX (CAYMAN) LIMITED (KY) 2001-12-20 WO disclosed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN disclosed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN disclosed
CN-1309647-A Substd. 6-benzyl-4-oxopyrimidines, process for their preparation and pharmaceutical compositions contg. them NOVIRIO PHARMACEUTICALS LTD (KY) 2001-08-22 CN disclosed
EP-1098887-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Novirio Pharmaceuticals Limited (KY) 2001-05-16 EP disclosed
WO-2000003998-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOVIRIO PHARMACEUTICALS LIMITED (KY) 2000-01-27 WO disclosed
WO-1996041634-A3 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH C (IT) 1997-01-23 WO disclosed
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO disclosed
WO-1996041634-A2 USE OF A NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR IN ASSOCIATION WITH NUCLEOSIDE INHIBITORS FOR THE TREATMENT OF HIV INFECTION SARDINIAN ANTIVIRAL RESEARCH CONSORTIUM - SARC S.C.R.L. (IT) 1996-12-27 WO disclosed
WO-1996010565-A1 SUBSTITUTED 6-BENZYL-4-OXOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ISTITUTO SUPERIORE DI SANITA' (IT) 1996-04-11 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 (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-20110172178-A1 BETA-L-2' DEOXYNUCLEOSIDES FOR THE TREATMENT OF RESISTANT HBV STRAINS AND COMBINATION THERAPIES SLC28A2, SLC29A2, PNP ABL1 4246/4885RIN1 4253/4885POLB 66/4885

“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.