SCHEMBL5828517

SCHEMBL5828517

Cc1cc(O)c(C23CC4CC(CC(C4)C2)C3)cc1-c1ccc(C=C2NC(=O)SC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
PTPRCAP Q14761 1/20 0.53
RARA P10276 4/20 0.46
IKBKB O14920 2/20 0.46
RARB P10826 5/20 0.41
CSNK2A1 P68400 2/20 0.40
DYRK1A Q13627 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CLK1 P49759 1/20 0.40
CSNK2B P67870 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 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
SCHEMBL5828516 0.90 PTPN11 (0.65) PTPN11PTPRCAPRARAIKBKBRARB
SCHEMBL5828513 0.90 PTPN11 (0.65) PTPN11PTPRCAPRARAIKBKBRARB
SCHEMBL5828126 0.84 PTPN11 (0.63) PTPN11PTPRCAPRARAIKBKBRARB
SCHEMBL5827669 0.77 PTPN11 (0.79) PTPN11PTPRCAPRARBCSNK2A1DYRK1A
SCHEMBL5827668 0.77 PTPN11 (0.79) PTPN11PTPRCAPRARBCSNK2A1DYRK1A
SCHEMBL5828666 0.77 PTPN11 (0.49) PTPN11PTPRCAPRARARARBCSNK2A1
SCHEMBL5827656 0.77 PTPN11 (0.56) PTPN11PTPRCAPRARBCSNK2A1DYRK1A
SCHEMBL5828556 0.76 HDAC11 (0.57) PTPN11PTPRCAPRARARARBCSNK2A1
SCHEMBL5828122 0.73 PTPN11 (0.77) PTPN11PTPRCAPRARARARBCSNK2A1
SCHEMBL5828120 0.73 PTPN11 (0.77) PTPN11PTPRCAPRARARARBCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US claimed
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US 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 3488/4885RARA 1460/4885

“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.