Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL71525

CCCC[N+](CCCC)(CCCC)CCCC.S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 4/20 1.00
SLC22A2 O15244 1/20 0.85
TSHR P16473 2/20 0.73
ALDH1A1 P00352 1/20 0.73
TP53 P04637 1/20 0.73
CYP3A4 P08684 1/20 0.73
ALOX15 P16050 1/20 0.73
ALOX12 P18054 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
HIF1A Q16665 1/20 0.73
HSD17B10 Q99714 1/20 0.73
DNM1 Q05193 5/20 0.65
THRB P10828 1/20 0.54

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
Tetrabuthylammonium SCHEMBL22384 1.00 SLC22A1 (1.00) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL2007037 1.00 SLC22A1 (1.00) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL8840674 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL18297317 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL2580744 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL25266692 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL10382646 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL37661 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL10866345 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53
Tetrabuthylammonium SCHEMBL25195464 0.96 SLC22A1 (0.92) SLC22A1SLC22A2TSHRALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254886-B1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES SRL (IT) 2016-05-25 EP claimed
EP-2376492-B1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES SRL (IT) 2015-04-08 EP claimed
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-05-30 US claimed
US-8207165-B2 3,4-dihydro-2H-pyrazino[1,2-A]indol-1-one derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US claimed
EP-2376492-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2011-10-19 EP claimed
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L (IT) 2011-10-13 US claimed
US-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-07-28 US claimed
EP-2254886-A2 3,4-DIHYDRO-2H-PYRAZINOÝ1,2-A¨INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Nerviano Medical Sciences S.r.l. (IT) 2010-12-01 EP claimed
WO-2010031816-A1 3,4 DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 WO claimed
WO-2009118411-A2 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-10-01 WO claimed
EP-1816120-A1 Aminonitrile production INVISTA Technologies S.à.r.l. (US) 2007-08-08 EP claimed
EP-1434758-A1 AMINONITRILE PRODUCTION INVISTA Technologies S.à.r.l. (US) 2004-07-07 EP claimed
WO-2003029192-A1 AMINONITRILE PRODUCTION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2003-04-10 WO claimed
US-6455723-B1 Aminonitrile production E. I. DU PONT DE NEMOURS AND COMPANY 2002-09-24 US claimed
JP-9067341-A None JP disclosed
WO-2024203343-A1 (METH)ACRYLIC ACID COPOLYMER, METHOD FOR PRODUCING SAME, WATER TREATMENT AGENT AND SCALE INHIBITOR トウアゴウセイ・タイランド・カンパニー・リミテッド 2024-10-03 WO disclosed
CN-112823159-B Aromatic heterocyclic compounds with kinase inhibitory activity 上海轶诺药业有限公司 2024-03-01 CN disclosed
CN-86106242-A 2-sulphomethyl-replacement-1,4-dihydropyridine, its manufacture method and the pharmaceutical composition that contains these compounds 1987-05-13 CN disclosed
WO-1987000836-A1 PHARMACEUTICALLY ACTIVE 2-THIOMETHYL-SUBSTITUTED-1,4-DIHYDROPYRIDINES BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1987-02-12 WO disclosed
US-4585874-A Process for preparing penem derivatives FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-29 US 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-20110183971-A1 3,4-DIHYDRO-2H-PYRAZINO[1,2-A]INDOL-1-ONE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM MAP3K1, PDPK1, MAP3K15 SLC22A1 4823/4885SLC22A2 4850/4885TSHR 2890/4885
US-20110251179-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-a]PYRAZIN-1-ONE DERIVATIVES PDK1, PDPK1, CDK3 SLC22A1 4713/4885SLC22A2 4751/4885TSHR 3486/4885
US-20130137696-A1 3,4-DIHYDRO-2H-PYRROLO[1,2-A]PYRAZIN-1-ONE DERIVATIVES FOR THE MODULATION OF THE ACTIVITY OF PROTEIN KINASES MAP3K15, MAP3K1, MAP3K3 SLC22A1 4856/4885SLC22A2 4862/4885TSHR 2887/4885

“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.