SCHEMBL2211568

SCHEMBL2211568

Brc1cnc(Br)c2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.42
AHR P35869 1/20 0.36
PARP1 P09874 1/20 0.33
MAPK1 P28482 1/20 0.33
AXL P30530 2/20 0.32
ZAP70 P43403 1/20 0.32
CCR8 P51685 1/20 0.31
CFB P00751 1/20 0.31
DYRK1A Q13627 1/20 0.31
KMT2A Q03164 1/20 0.30
PLAU P00749 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
SCHEMBL31275318 1.00 PRKCI (0.42) PRKCIAHRPARP1MAPK1AXL
SCHEMBL3993065 0.83 PRKCI (0.42) PRKCIAHRPARP1MAPK1AXL
SCHEMBL31083296 0.83 PRKCI (0.42) PRKCIAHRPARP1MAPK1AXL
SCHEMBL1763170 0.80 NUDT1 (0.37) PRKCIAHRMAPK1AXL
SCHEMBL2628940 0.80 PRKCI (0.40) PRKCIAHRMAPK1AXLCCR8
SCHEMBL2674588 0.80 PIK3C3 (0.41) PRKCIAHRPARP1MAPK1AXL
SCHEMBL1763755 0.80 DYRK1A (0.44) PRKCIAHRPARP1MAPK1AXL
SCHEMBL25680888 0.80 PRKCI (0.40) PRKCIAHRPARP1MAPK1AXL
SCHEMBL31279052 0.80 DYRK1A (0.44) PRKCIAHRPARP1MAPK1AXL
SCHEMBL12033234 0.76 PRKCI (0.41) PRKCIAHRAXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3814360-B1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-10-02 EP disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2021-12-09 US disclosed
EP-3814360-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2021-05-05 EP disclosed
US-20160152615-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES VIIV HEALTHCARE UK (NO. 4) LIMITED (GB) 2016-06-02 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-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-06-05 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 US disclosed
US-20060094717-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives REGUEIRO-REN ALICIA 2006-05-04 US disclosed
EP-1638568-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2006-03-29 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
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2005-04-07 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-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US disclosed
WO-2004011425-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC UREIDO AND THIOUREIDO PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-05 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 (10 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 PRKCI 1799/4885AHR 1111/4885PARP1 791/4885
US-20060094717-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives IDO2, IDO1, INMT PRKCI 4354/4885AHR 189/4885PARP1 2862/4885
US-20050075364-A1 Indole, azaindole and related heterocyclic N-substituted piperazine derivatives IDO2, IDO1, INMT PRKCI 3456/4885AHR 185/4885PARP1 850/4885
US-20160075703-A1 SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 PRKCI 2009/4885AHR 1146/4885PARP1 577/4885
US-20050261296-A1 Viricides, immunomodulators or HIV entry inhibitors; lymphadenopathy associated virus, human T-cell leukemia/lymphoma virus; AIDS MALT1, BCL6, CD4 PRKCI 2314/4885AHR 619/4885PARP1 1803/4885
US-20150329543-A1 PRODRUGS OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IMPDH2, IDO1 PRKCI 1799/4885AHR 1111/4885PARP1 791/4885
US-20040063746-A1 Indole, azaindole and related heterocyclic ureido and thioureido piperazine derivatives IDO1, IDO2, TPMT PRKCI 3986/4885AHR 274/4885PARP1 1010/4885
US-20210380603-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, HDAC6 PRKCI 4354/4885AHR 199/4885PARP1 3328/4885
US-11685746-B2 Heteroaryl compounds for treating Huntington's disease HTT, HYPK, HDAC6 PRKCI 4354/4885AHR 199/4885PARP1 3328/4885
US-20080132516-A1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC N-SUBSTITUTED PIPERAZINE DERIVATIVES IDO2, IDO1, INMT PRKCI 3687/4885AHR 247/4885PARP1 1041/4885

“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.