SCHEMBL2787049

SCHEMBL2787049

O=CNc1ncc[nH]c1=O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
FDPS P14324 1/20 0.30

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
SCHEMBL7361822 0.77
SCHEMBL2787025 0.75
SCHEMBL10574839 0.75
Hydrochloric Acid SCHEMBL2699935 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2ADRA2AADRA2CADRA1D
SCHEMBL27655847 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL814595 0.72
SCHEMBL10569996 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL28733425 0.71 FDPS (0.43) ALDH1A1SMN1; SMN2ADRA2AADRA2CADRA1D
SCHEMBL6647148 0.71 JAK2 (0.40) ALDH1A1SMN1; SMN2FDPS
SCHEMBL7556283 0.69 GDA (0.40) ALDH1A1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102846617-B The preparation method of 3-(butyl oxygen base)-2-pyrazine formyl ammonia and purposes Institute of Toxicology and Drugs, Chinese Academy of Military Medical Sciences (CN) 2016-01-13 CN disclosed
WO-2013139206-A1 3-OXO-3,4-DIHYDRO-2-PYRAZINE-FORMAMIDE DERIVATIVE, PHARMACEUTICAL COMPOSITION OF SAME, METHOD FOR PREPARING SAME, AND USE THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2013-09-26 WO disclosed
WO-2013004092-A1 3-OXO-3, 4-DIHYDRO-2-PYRAZINEFORMAMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHODS AND USES THEREOF 中国人民解放军军事医学科学院毒物药物研究所 (CN) 2013-01-10 WO disclosed
CN-102850282-A Preparation method and purpose of 3-alkoxy-substituent-2-pyrazinyl formamide compounds INST PHARM & TOXICOLOGY AMMS 2013-01-02 CN disclosed
US-8324179-B2 Nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-04 US disclosed
CN-102617491-A 3-oxo-3,4-dihydro-2-pyrazinecarboxamide derivative, medicinal composition thereof and preparation method and application of 3-oxo-3,4-dihydro-2-pyrazinecarboxamide derivative INST PHARM & TOXICOLOGY AMMS 2012-08-01 CN disclosed
US-7842672-B2 Phosphonate inhibitors of HCV GILEAD SCIENCES, INC. (US) 2010-11-30 US disclosed
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents IDENIX PHARMACEUTICALS, INC. 2010-11-04 US disclosed
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2010-04-29 US disclosed
WO-2008100447-A2 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2008-08-21 WO disclosed
US-20080107628-A1 Polymerase inhibitors GILEAD SCIENCES, INC. 2008-05-08 US disclosed
EP-1898934-A1 NUCLEOSIDES WITH NON-NATURAL BASES AS ANTI-VIRAL AGENTS Idenix (Cayman) Limited (KY) 2008-03-19 EP disclosed
WO-2008005542-A2 ANTIVIRAL PHOSPHINATE COMPOUNDS GILEAD SCIENCES, INC., (US) 2008-01-10 WO disclosed
WO-2007144686-A1 NUCLEOSIDES WITH NON-NATURAL BASES AS ANTI-VIRAL AGENTS IDENIX (CAYMAN) LIMITED (US) 2007-12-21 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-20080107628-A1 Polymerase inhibitors POLR2H, POLR2E, POLR1E ALDH1A1 1919/4885SMN1; SMN2 1178/4885ADRA2A 4155/4885
US-20100104532-A1 NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT SLC29A1, NUDT1, EIF2AK2 ALDH1A1 2008/4885SMN1; SMN2 769/4885ADRA2A 4102/4885
US-20100279974-A1 Nucleosides With Non-Natural Bases as Anti-Viral Agents PNP, NSUN2, NME2 ALDH1A1 3538/4885SMN1; SMN2 432/4885ADRA2A 4526/4885

“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.