SCHEMBL5828587

SCHEMBL5828587

O=C1NC(=O)/C(=C/c2ccc(-c3cc4c(c(C56CC7CC(CC(C7)C5)C6)c3)OCO4)cc2)S1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.54
PTPRCAP Q14761 1/20 0.54
PIK3CA P42336 2/20 0.47
PIK3CG P48736 2/20 0.47
GSK3B P49841 2/20 0.44
HPGD P15428 4/20 0.43
IGF1R P08069 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PIM1 P11309 6/20 0.40
PIM2 Q9P1W9 6/20 0.40
PIM3 Q86V86 1/20 0.40
AKR1B1 P15121 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
GLS O94925 1/20 0.39
GLS2 Q9UI32 1/20 0.39

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 1.00 PTPN11 (0.54) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL5827895 0.93 PTPN11 (0.51) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL5827894 0.93 PTPN11 (0.51) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL5827745 0.92 NAT1 (0.49) PTPN11PTPRCAPPIK3CAPIK3CGRAB9A
SCHEMBL6452873 0.89 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL6452882 0.89 PTPN11 (0.47) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL405400 0.82 RARB (0.42) PTPN11HPGDMEN1KMT2ATDP1
SCHEMBL5828663 0.79 PTPN11 (0.61) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL5828660 0.79 PTPN11 (0.61) PTPN11PTPRCAPPIK3CAPIK3CGGSK3B
SCHEMBL5828122 0.78 PTPN11 (0.77) PTPN11PTPRCAPGSK3BHPGDMEN1

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 PTPN11 1985/4885PTPRCAP 3488/4885PIK3CA 2075/4885

“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.