SCHEMBL158472

SCHEMBL158472

O=C1[N]C=Nc2nc[nH]c21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ATIC P31939 1/20 0.32

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
SCHEMBL1867923 0.71 ALDH1A1 (0.40) ALDH1A1
SCHEMBL355917 0.67 ALDH1A1 (0.40) ALDH1A1
SCHEMBL16895240 0.64
SCHEMBL17425088 0.63 ALDH1A1 (0.30) ALDH1A1POLBRXFP1ATIC
SCHEMBL2790086 0.62 TDP1 (0.31)
SCHEMBL5752168 0.61
SCHEMBL336074 0.60
SCHEMBL4273064 0.58
SCHEMBL7011289 0.58 ATIC (0.36) ALDH1A1POLBRXFP1ATIC
SCHEMBL5165263 0.58 ALDH1A1 (0.44) ALDH1A1POLBRXFP1ATIC

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 1427 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-17 US claimed
US-20190077726-A1 METHODS OF SYNTHESIZING LABELED NUCLEOSIDES SINGULAR GENOMICS SYSTEMS INC (US) 2019-03-14 US claimed
US-9884886-B2 Disulfide masked prodrug compositions and methods MERCK SHARP & DOHME (US) 2018-02-06 US claimed
EP-1913011-B1 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS INC (US) 2016-11-02 EP claimed
US-9192621-B2 Esters and malonates of SATE prodrugs IDENIX PHARMACEUTICALS LLC (US) 2015-11-24 US claimed
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 EP claimed
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-04-11 US claimed
US-8318701-B2 Phosphonate analogs of HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-11-27 US claimed
US-8076310-B2 Phosphonate nucleosides useful as active ingredients in pharmaceutical compositions for the treatment of viral infections, and intermediates for their production K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) 2011-12-13 US claimed
US-7772387-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2010-08-10 US claimed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP claimed
EP-1112255-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2001-07-04 EP claimed
US-6127533-A SPECIFICALLY HYBRIDIZABLE WITH A SELECTED SEQUENCE OF RNA OR DNA; DIAGNOSIS OF DISEASES ISIS PHARMACEUTICALS, INC. (US) 2000-10-03 US claimed
EP-1038872-A1 4-Phenyl-4-heteroarylpiperdine derivatives as opioid receptor ligands Pfizer Products Inc. (US) 2000-09-27 EP claimed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 WO claimed
WO-2000014066-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2000-03-16 WO claimed
EP-0955301-A2 7-aza-bicyclo[2.2.1]-heptane derivatives, their preparation and use according to their affinity for neuronal nicotinic acetylchloline receptors Pfizer Products Inc. (US) 1999-11-10 EP claimed
US-4689321-A CYTOLYSIS, ANTITUMOR, ANTICARCINOGENIC THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-08-25 US claimed
US-4558047-A ANTITUMOR AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-10 US claimed
EP-0123473-A2 Morpholine derivatives, processes for the preparation thereof, the use thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 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 (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-20190315785-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885POLB 146/4885RXFP1 4837/4885
US-20130090299-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885POLB 146/4885RXFP1 4837/4885
US-20190077726-A1 METHODS OF SYNTHESIZING LABELED NUCLEOSIDES NUDT1, DUT, PNP ALDH1A1 1243/4885POLB 113/4885RXFP1 4680/4885

“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.