Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL200612

CCCC[N+](CCCC)(CCCC)CCCC.Nc1nc(I)c2[nH]cnc2n1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.68
CDK1 P06493 14/20 0.58
CCNB1 P14635 14/20 0.58
CCNA2 P20248 12/20 0.58
CCNA1 P78396 12/20 0.58
PIN1 Q13526 1/20 0.56
PDPK1 O15530 1/20 0.46
GDA Q9Y2T3 1/20 0.46
MAP3K5 Q99683 1/20 0.44
DPP4 P27487 1/20 0.44
MGMT P16455 4/20 0.42

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
Butylamine SCHEMBL27790885 0.86 CDK2 (0.71) CDK2CDK1CCNB1CCNA2CCNA1
Tetrabuthylammonium SCHEMBL200611 0.78 CDK1 (0.39) CDK2CDK1CCNB1CCNA2CCNA1
6-O-Benzylguanine SCHEMBL10916361 0.75 PIN1 (0.76) CDK2CDK1CCNB1CCNA2CCNA1
Tetrabuthylammonium SCHEMBL3029323 0.72 POLA1 (0.48) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL432161 0.71 PAK1 (0.66) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL16146539 0.70 HDAC1 (0.67) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL29720347 0.68 MAP3K5 (0.60) CDK2CDK1CCNB1CCNA2CCNA1
2,6-Diaminopurine SCHEMBL28083713 0.67 PDPK1 (0.79) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL8971208 0.67 CDK1 (1.00) CDK2CDK1CCNB1CCNA2CCNA1
SCHEMBL10580001 0.66 PDPK1 (0.61) CDK2CDK1CCNB1CCNA2CCNA1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9005906-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed
US-20140315979-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8796437-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
EP-2188298-B1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2013-09-18 EP disclosed
US-20130211064-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8440803-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120071645-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2012-03-22 US disclosed
US-20120021515-A1 OLIGOMERIC COMPOUNDS AND METHODS ISIS PHARMACEUTICALS, INC. 2012-01-26 US disclosed
US-8088904-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
EP-2188298-A2 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS Isis Pharmaceuticals, Inc. (US) 2010-05-26 EP disclosed
WO-2009143369-A2 METHOD OF PREPARING NUCLEOSIDES AND ANALOGS THEREOF WITHOUT USING CHROMATOGRAPHY ISIS PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090092981-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS IONIS PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2009023855-A2 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS, INC. (US) 2009-02-19 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-20120021515-A1 OLIGOMERIC COMPOUNDS AND METHODS HNRNPH1, RNASEH1, SNRPE CDK2 2349/4885CDK1 2888/4885CCNB1 2409/4885
US-20120071645-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS HNRNPM, POLM, RNMT CDK2 1068/4885CDK1 2435/4885CCNB1 2843/4885
US-20090092981-A1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS HNRNPM, POLM, RNMT CDK2 1068/4885CDK1 2435/4885CCNB1 2843/4885

“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.