SCHEMBL5828052

SCHEMBL5828052

COc1ccc(-c2cccc3c(C=C4SC(=S)NC4=O)cccc23)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.51
NAT1 P18440 2/20 0.51
PIM1 P11309 2/20 0.47
CA2 P00918 1/20 0.46
PDE3A Q14432 5/20 0.45
MAOB P27338 1/20 0.44
CISD1 Q9NZ45 1/20 0.44
PTP4A3 O75365 3/20 0.44
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTPRCAP Q14761 1/20 0.42
DYRK1A Q13627 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL5827658 0.91 PTPN11 (0.51) PDE4BPIM1MGAMGAASI
SCHEMBL5827659 0.91 PTPN11 (0.51) PDE4BPIM1MGAMGAASI
SCHEMBL5828050 0.85 PIM1 (0.45) PDE4BNAT1PIM1CA2PDE3A
SCHEMBL5828434 0.81 RARA (0.49) MEN1LMNAKMT2A
SCHEMBL12892054 0.74 NAT1 (0.72) PDE4BNAT1PIM1CA2PDE3A
SCHEMBL5827671 0.74 HDAC11 (0.59) PDE4BPIM1PTPN11PTPRCAPDYRK1A
SCHEMBL5827672 0.74 HDAC11 (0.59) PDE4BPIM1PTPN11PTPRCAPDYRK1A
SCHEMBL5828057 0.73 RARA (0.40) MEN1ALDH1A1LMNAKMT2A
SCHEMBL5827660 0.71 RARA (0.43) PTPN11PTPRCAPMEN1ALDH1A1LMNA
SCHEMBL5828571 0.71 PTPN11 (0.47) NAT1PIM1PTPN11PTPRCAPMEN1

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 4602/4885NAT1 105/4885PIM1 3324/4885

“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.