SCHEMBL3957296

SCHEMBL3957296

C#CCn1cnc2c(N)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AHCY P23526 7/20 0.66
ADORA2A P29274 10/20 0.63
ADORA1 P30542 4/20 0.63
PI4KA P42356 3/20 0.63
PI4K2B Q8TCG2 3/20 0.63
PI4K2A Q9BTU6 3/20 0.63
PI4KB Q9UBF8 3/20 0.63
ADORA2B P29275 1/20 0.59
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL7680204 0.83 AHCY (0.66) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL11222112 0.80 ADORA2A (0.80) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28454215 0.80 FDPS (0.51) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL12925855 0.79 ADORA2A (0.71) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL28950118 0.78 AHCY (0.48) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1924594 0.77 ADORA2A (1.00) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL22558037 0.77 ADORA2A (0.69) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL2495370 0.77 ADORA2A (0.69) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL1871838 0.77 ADORA2A (0.75) AHCYADORA2AADORA1PI4KAPI4K2B
SCHEMBL3441186 0.76 CDK1 (0.54) ADORA2AADORA1

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-106883217-B Nucleoside base hydroxamic acid derivative compound and preparation method and application thereof 清华大学深圳研究生院 2020-05-22 CN disclosed
US-10308638-B2 Selective alpha-7 nicotinic receptor agonists and methods for making and using them THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-06-04 US disclosed
US-20180244653-A1 SELECTIVE ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-30 US disclosed
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 US disclosed
US-9896461-B2 Polysilylated organosilane compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2018-02-20 US disclosed
WO-2016154434-A1 SELECTIVE ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-29 WO disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 US disclosed
US-20150218192-A1 Polysilylated Organosilane Compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2015-08-06 US disclosed
WO-2014006221-A1 POLYSILYLATED ORGANOSILANE COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2014-01-09 WO disclosed
EP-2657236-A1 NOVEL 2-ALKYNYL-N9-PROPARGYLADENINE AND MEDICINAL USE THEREOF YAMASA CORPORATION (JP) 2013-10-30 EP disclosed
US-7626005-B2 Inhibitors of aminoglycoside 6′-N-acetyltransferases, compositions and uses thereof MCGILL UNIVERSITY (CA) 2009-12-01 US disclosed
EP-1740587-A4 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS LLC (US) 2009-07-15 EP disclosed
EP-1740587-A2 SELECTIVE ANTAGONISTS OF A-2A- ADENOSINE RECEPTORS Adenosine Therapeutics, LLC (US) 2007-01-10 EP disclosed
WO-2005097140-A2 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2005-10-20 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-20150218192-A1 Polysilylated Organosilane Compounds ALG8, UGT1A9, SI AHCY 3209/4885ADORA2A 4370/4885ADORA1 4554/4885
US-10308638-B2 Selective alpha-7 nicotinic receptor agonists and methods for making and using them CHRNA7, CHRNA1, CHRNA5 AHCY 2178/4885ADORA2A 186/4885ADORA1 52/4885
US-20180244653-A1 SELECTIVE ALPHA-7 NICOTINIC RECEPTOR AGONISTS AND METHODS FOR MAKING AND USING THEM CHRNA7, CHRNA1, CHRNA5 AHCY 2178/4885ADORA2A 186/4885ADORA1 52/4885

“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.