SCHEMBL5828392

SCHEMBL5828392

COc1ccc(-c2ccc3cc(C=C4SC(=S)NC4=O)ccc3c2)cc1C1(C)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.59
PDE3A Q14432 5/20 0.59
DYRK1A Q13627 4/20 0.53
PIM1 P11309 2/20 0.53
CLK2 P49760 2/20 0.53
CISD1 Q9NZ45 2/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
CDC7 O00311 1/20 0.53
PLK4 O00444 1/20 0.53
DAPK3 O43293 1/20 0.53
DYRK3 O43781 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PRKCG P05129 1/20 0.53
CDK1 P06493 1/20 0.53
RPS6KB1 P23443 1/20 0.53
AKT1 P31749 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53

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
SCHEMBL5828501 0.91 PIM1 (0.57) PDE4BDYRK1APIM1CLK2CDC7
SCHEMBL5828504 0.91 PIM1 (0.57) PDE4BDYRK1APIM1CLK2CDC7
SCHEMBL5827717 0.81 PDE4B (0.64) PDE4BPDE3ADYRK1APIM1CLK2
SCHEMBL5828051 0.80 PDE4B (0.62) PDE4BPDE3ADYRK1APIM1CLK2
SCHEMBL5827791 0.79 RARB (0.66) MEN1KMT2AALDH1A1LMNARARA
SCHEMBL6705005 0.77 NAT1 (0.58) DYRK1APIM1CLK2CISD1MAOA
SCHEMBL6705002 0.77 NAT1 (0.58) DYRK1APIM1CLK2CISD1MAOA
SCHEMBL14492606 0.76 PDE4B (0.62) PDE4BPDE3ADYRK1APIM1CLK2
SCHEMBL15421279 0.76 PDE4B (1.00) PDE4BPDE3ADYRK1APIM1CLK2
SCHEMBL8171885 0.76 PDE4B (1.00) PDE4BPDE3ADYRK1APIM1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP claimed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP claimed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US claimed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (1 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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR PDE4B 4602/4885PDE3A 4585/4885DYRK1A 2117/4885

“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.