SCHEMBL996665

SCHEMBL996665

Nc1ncc2c(n1)[N+]=CN2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL536980 0.63 DPP4 (0.34)
SCHEMBL536868 0.63
SCHEMBL8884479 0.63
SCHEMBL17824203 0.60 CDK1 (0.33) ALDH1A1
SCHEMBL536971 0.57 LRRK2 (0.31)
SCHEMBL33992 0.53
SCHEMBL342513 0.52 RET (0.43) ALDH1A1
SCHEMBL5691391 0.52
SCHEMBL31465446 0.52 TYRO3 (0.61) ALDH1A1
SCHEMBL3304844 0.51 CLK1 (0.43) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677810-A Double-stranded oligonucleotide, composition containing double-stranded oligonucleotide, conjugate, preparation method and application 苏州瑞博生物技术股份有限公司 2023-02-03 CN claimed
US-9174990-B2 2-amino-9-[(2-hydroxymethyl) cyclopropylidenemethyl] purines as antiviral agents WAYNE STATE UNIVERSITY (US) 2015-11-03 US claimed
US-8710030-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-04-29 US claimed
US-20130045950-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-02-21 US claimed
EP-2462152-A1 COMPOSITION AND METHODS OF TREATING VIRAL INFECTIONS AND VIRAL INDUCED TUMORS Chimerix, Inc. (US) 2012-06-13 EP claimed
WO-2011017253-A1 COMPOSITION AND METHODS OF TREATING VIRAL INFECTIONS AND VIRAL INDUCED TUMORS CHIMERIX, INC. (US) 2011-02-10 WO claimed
WO-2011011710-A1 METHODS OF TREATING VIRAL INFECTIONS CHIMERIX, INC. (US) 2011-01-27 WO claimed
EP-0719273-B1 NUCLEOTIDE ANALOGS GILEAD SCIENCES INC (US) 2010-11-03 EP claimed
US-7745417-B2 Nucleosides or nucleotides having novel unnatural bases and use thereof RIKEN (JP) 2010-06-29 US claimed
WO-2009120358-A1 OLIGOMER-NITROGENOUS BASE CONJUGATES NEKTAR THERAPEUTICS (US) 2009-10-01 WO claimed
EP-0719273-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1996-07-03 EP claimed
WO-1995026734-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN WILLIAM R (US) 1995-10-12 WO claimed
WO-1995007920-A1 NUCLEOTIDE ANALOGS GILEAD SCIENCES, INC. (US) 1995-03-23 WO claimed
US-5155112-A Antiviral agents; Herpes virus GLAXO GROUP LIMITED (GB) 1992-10-13 US claimed
US-5151426-A Treatment of aids BIOCHEM PHARMA INC. (CA) 1992-09-29 US claimed
US-5142051-A Viricides special for mutants of herpes viruses CESKOSLOVENSKA AKADEMIE VED (CS) 1992-08-25 US claimed
EP-0253412-B1 N-PHOSPHONYLMETHOXYALKYL DERIVATIVES OF PYRIMIDINE AND PURINE BASES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREFROM WITH ANTIVIRAL ACTIVITY Ceskoslovenska akademie ved (CS) 1990-10-31 EP claimed
EP-0345076-A1 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1989-12-06 EP claimed
EP-0285884-A2 Process to produce 2', 3'-Dideoxynucleosides Bristol-Myers Squibb Company (US) 1988-10-12 EP claimed
EP-0253412-A2 N-Phosphonylmethoxyalkyl derivatives of pyrimidine and purine bases, methods for their preparation and pharmaceutical compositions therefrom with antiviral activity Ceskoslovenska akademie ved (CS) 1988-01-20 EP claimed

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-20130045950-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA ALDH1A1 3840/4885

“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.