SCHEMBL10073316

SCHEMBL10073316

CCOC(=O)c1c(C)nc(C)nc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
KDM4E B2RXH2 3/20 0.54
GAA P10253 3/20 0.54
LMNA P02545 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
ADORA3 P0DMS8 3/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48

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
SCHEMBL6504933 0.87 KDM4E (0.65) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL12575834 0.87 LMNA (0.51) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL22120077 0.85 GAA (0.50) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL13759849 0.85 KDM4E (0.58) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL3639850 0.85 PDE4D (0.53) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL3637105 0.83 KDM4E (0.53) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL29761811 0.83 ESR1 (0.51) PDE4DSMN1; SMN2LMNAALDH1A1RAB9A
SCHEMBL22192888 0.83 ADORA3 (0.63) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL18305004 0.80 LMNA (0.49) PDE4DSMN1; SMN2KDM4EGAALMNA
SCHEMBL16851079 0.79 ADORA3 (0.65) PDE4DSMN1; SMN2KDM4EGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor ARVINAS OPERATIONS, INC. (US) 2022-02-01 US disclosed
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2021-01-14 US disclosed
CN-104744256-B Prepare 2-(alkoxyalkylene)-3-oxo carboxylic acid ester, the method for pyrimidine compound and the ferrum purposes as catalyst 北京乐威泰克医药技术有限公司 2017-01-04 CN disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-8114879-B2 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2012-02-14 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-7825121-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2010-11-02 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-08-07 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
US-7384944-B2 Piperazine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 US disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 WO disclosed
US-4659362-A Herbicidal 5-pyrimidylcyclohexan-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1987-04-21 US disclosed
EP-0102823-A2 Herbicidal cyclohexane-1,3-dione derivatives ICI AUSTRALIA LIMITED (AU) 1984-03-14 EP 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-20080188485-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR2 PDE4D 1805/4885SMN1; SMN2 3676/4885KDM4E 3872/4885
US-20210009528-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN PDE4D 3266/4885SMN1; SMN2 3928/4885KDM4E 706/4885
US-11236051-B2 Compounds and methods for the targeted degradation of androgen receptor AR, ADRM1, CRBN PDE4D 3266/4885SMN1; SMN2 3928/4885KDM4E 706/4885

“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.