SCHEMBL5827745

SCHEMBL5827745

O=C1NC(=S)SC1=Cc1ccc(-c2cc3c(c(C45CC6CC(CC(C6)C4)C5)c2)OCO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 6/20 0.49
PTPN11 Q06124 1/20 0.47
PTPRCAP Q14761 1/20 0.47
CSNK2A2 P19784 2/20 0.44
CLK1 P49759 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
DYRK2 Q92630 1/20 0.44
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
MYC P01106 3/20 0.43
MAX P61244 3/20 0.43
CISD1 Q9NZ45 1/20 0.43
CA2 P00918 1/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PIK3CA P42336 1/20 0.42

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
SCHEMBL5828590 0.92 PTPN11 (0.54) PTPN11PTPRCAPCLK1DYRK1ADYRK1B
SCHEMBL5828587 0.92 PTPN11 (0.54) PTPN11PTPRCAPCLK1DYRK1ADYRK1B
SCHEMBL5827895 0.85 PTPN11 (0.51) PTPN11PTPRCAPCLK1DYRK1ADYRK1B
SCHEMBL5827894 0.85 PTPN11 (0.51) PTPN11PTPRCAPCLK1DYRK1ADYRK1B
SCHEMBL6452882 0.81 PTPN11 (0.47) PTPN11PTPRCAPCSNK2A2CLK1CSNK2B
SCHEMBL6452873 0.81 PTPN11 (0.47) PTPN11PTPRCAPCSNK2A2CLK1CSNK2B
SCHEMBL405400 0.79 RARB (0.42) PTPN11CLK1DYRK1ADYRK1BDYRK2
SCHEMBL6543150 0.74 RARB (0.40) PTPN11CLK1DYRK1ADYRK1BDYRK2
SCHEMBL6543153 0.74 RARB (0.40) PTPN11CLK1DYRK1ADYRK1BDYRK2
SCHEMBL405278 0.74 RARB (0.64) PTPN11

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 NAT1 105/4885PTPN11 1985/4885PTPRCAP 3488/4885

“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.