SCHEMBL5827672

SCHEMBL5827672

COc1ccc(-c2ccc(C=C3SC(=O)NC3=O)cc2)cc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 2/20 0.59
HDAC2 Q92769 1/20 0.59
PIM1 P11309 3/20 0.58
PIM2 Q9P1W9 3/20 0.58
PIM3 Q86V86 2/20 0.58
PDE4B Q07343 2/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
PTPN11 Q06124 1/20 0.56
PTPRCAP Q14761 1/20 0.56
GSK3B P49841 3/20 0.52
CDC7 O00311 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
MAP4K4 O95819 1/20 0.52
PHKG2 P15735 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CSNK1D P48730 1/20 0.52

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
SCHEMBL5827671 1.00 HDAC11 (0.59) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5828067 0.93 MEN1 (0.57) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5828070 0.93 MEN1 (0.57) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5828556 0.89 HDAC11 (0.57) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5827860 0.89 PTPN11 (0.52) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5827862 0.89 PTPN11 (0.52) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5827659 0.83 PTPN11 (0.51) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5827658 0.83 PTPN11 (0.51) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5828122 0.83 PTPN11 (0.77) HDAC11HDAC2PIM1PIM2PIM3
SCHEMBL5828120 0.83 PTPN11 (0.77) HDAC11HDAC2PIM1PIM2PIM3

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 HDAC11 48/4885HDAC2 490/4885PIM1 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.