Potassium Ion

Potassium Ion

SCHEMBL1762974

O=C([O-])C(=O)c1c[nH]c2c(Cl)nccc12.[K+]

nearest known ligand 0.40

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Known targets — ChEMBL curated mechanism

AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA

The experimentally established mechanism targets of Potassium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
NR4A2 P43354 2/20 0.35
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
HIPK2 Q9H2X6 2/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
BRPF1 P55201 1/20 0.33
TET2 Q6N021 1/20 0.32
TET1 Q8NFU7 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DYRK1A Q13627 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL2628866 0.86 KDM4C (0.44) KDM5AKDM4CDRD2DRD4DRD3
Potassium SCHEMBL1762976 0.85 KDM4C (0.43) KDM5AKDM4CDRD2DRD4DRD3
SCHEMBL21509475 0.84 KDM4C (0.55) KDM5AKDM4CDRD2DRD4DRD3
Potassium Ion SCHEMBL1763332 0.82 KDM5A (0.34) KDM5AKDM4CNR4A2LMNASMN1; SMN2
SCHEMBL1763185 0.81 NR4A2 (0.45) KDM5AKDM4CDRD2DRD4DRD3
Potassium Ion SCHEMBL7063395 0.78 CSNK2A1 (0.37) KDM5AKDM4CNR4A2CSNK2A1HIPK2
SCHEMBL12918553 0.78 NR4A2 (0.61) NR4A2
SCHEMBL3022152 0.78 PIM3 (0.49) KDM5AKDM4CDRD2DRD4DRD3
Potassium Ion SCHEMBL1763260 0.77 KDM5A (0.51) KDM5AKDM4CNR4A2CSNK2A2CSNK2B
SCHEMBL1763354 0.72 CYP2C9 (0.54) DRD2DRD4DRD3LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975038-B1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK(NO 4) LTD (GB) 2017-07-12 EP disclosed
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-07-21 US disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 US disclosed
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-03-17 US disclosed
EP-2975038-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2016-01-20 EP disclosed
EP-2801576-B1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL MYERS SQUIBB CO (US) 2015-12-09 EP disclosed
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 US disclosed
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-09-17 US disclosed
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-03-26 US disclosed
EP-2801576-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives Bristol-Myers Squibb Company (US) 2014-11-12 EP disclosed
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-11-24 US disclosed
EP-1549313-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-07-06 EP disclosed
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2005-04-28 US disclosed
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2004-06-10 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
US-20030207910-A1 Treatment of HIV and AIDS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-11-06 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 US disclosed
US-20030069266-A1 Aids therapy VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2003-04-10 US disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 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 (12 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-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KDM5A 369/4885KDM4C 844/4885DRD2 1875/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 KDM5A 581/4885KDM4C 1004/4885DRD2 1203/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM4C 518/4885DRD2 1043/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 KDM5A 524/4885KDM4C 557/4885DRD2 724/4885
US-20030069266-A1 Aids therapy ENTPD5, CCR5, ITPA KDM5A 513/4885KDM4C 875/4885DRD2 1284/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 275/4885KDM4C 837/4885DRD2 2700/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 KDM5A 369/4885KDM4C 844/4885DRD2 1875/4885
US-20050090522-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 KDM5A 581/4885KDM4C 1004/4885DRD2 1203/4885
US-20150259342-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 KDM5A 173/4885KDM4C 518/4885DRD2 1043/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP KDM5A 211/4885KDM4C 660/4885DRD2 2580/4885
US-20030207910-A1 Treatment of HIV and AIDS CD4, CCR5, IDO1 KDM5A 431/4885KDM4C 1000/4885DRD2 1057/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 KDM5A 288/4885KDM4C 734/4885DRD2 523/4885

“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.