SCHEMBL1472503

SCHEMBL1472503

[O]Cc1cncc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.36
HPGDS O60760 3/20 0.35
IGF1R P08069 1/20 0.34
CDK2 P24941 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PIK3CD O00329 1/20 0.33
DAO P14920 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AHR P35869 1/20 0.31
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30
NUDT1 P36639 1/20 0.30
PIP4K2A P48426 1/20 0.30
PIP4K2B P78356 1/20 0.30
PIP4K2C Q8TBX8 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
SCHEMBL12462777 0.85 BRD4 (0.42) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL30554077 0.85 BRD4 (0.42) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL24493221 0.78 BRD4 (0.40) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL24492934 0.77 BRD4 (0.39) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL30368744 0.74 BRD4 (0.45) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL23937722 0.74 BRD4 (0.45) BRD4PRMT5WDR77PIK3C3HPGDS
SCHEMBL15926855 0.74 BRD4 (0.41) BRD4PRMT5WDR77PIK3C3IGF1R
SCHEMBL23148015 0.69 NUDT1 (0.43) BRD4PRMT5WDR77PIK3C3IGF1R
SCHEMBL529739 0.69 AHR (0.52) BRD4PRMT5WDR77PIK3C3IGF1R
SCHEMBL2619221 0.69 BRD4 (0.45) BRD4PRMT5WDR77PIK3C3IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2015-11-19 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
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2014-05-15 US disclosed
EP-1513832-B1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides BRISTOL MYERS SQUIBB CO (US) 2014-03-05 EP disclosed
EP-1575493-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC SULFONYLUREIDO PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2013-12-11 EP disclosed
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2013-10-31 US disclosed
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-31 US disclosed
WO-2005004801-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-20 WO disclosed
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-09-23 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-2004043337-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC 4-ALKENYL PIPERIDINE AMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-04-01 US disclosed
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
WO-2004011425-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC UREIDO AND THIOUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-05 WO disclosed
US-20040006090-A1 Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-01-08 US disclosed
WO-2004000210-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC SULFONYLUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 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 (13 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 BRD4 960/4885PRMT5 993/4885WDR77 2624/4885
US-20130030005-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP BRD4 785/4885PRMT5 931/4885WDR77 2812/4885
US-20040110785-A1 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives ITPA, IDO1, IDO2 BRD4 365/4885PRMT5 1036/4885WDR77 1289/4885
US-20040063744-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT BRD4 25/4885PRMT5 71/4885WDR77 1017/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 BRD4 319/4885PRMT5 320/4885WDR77 1868/4885
US-20130289046-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP BRD4 785/4885PRMT5 931/4885WDR77 2812/4885
US-20150087652-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP BRD4 785/4885PRMT5 931/4885WDR77 2812/4885
US-20040186292-A1 Indole, azaindole and related heterocyclic 4-alkenyl piperidine amides IDO1, IDO2, INMT BRD4 25/4885PRMT5 71/4885WDR77 1017/4885
US-20040006090-A1 Indole, azaindole and related heterocyclic sulfonylureido piperazine derivatives IDO1, IDO2, INMT BRD4 55/4885PRMT5 37/4885WDR77 2177/4885
US-20140135342-A1 PHARMACEUTICAL FORMULATIONS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP BRD4 785/4885PRMT5 931/4885WDR77 2812/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 BRD4 960/4885PRMT5 993/4885WDR77 2624/4885
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives IDO1, IDO2, TPMT BRD4 209/4885PRMT5 17/4885WDR77 891/4885
US-20160207918-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES WITH PROTEASE INHIBITORS PREP, PEPD, DNPEP BRD4 384/4885PRMT5 523/4885WDR77 2281/4885

“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.