Sugi Predict

Sugi Predict / Compounds / SCHEMBL4182630

SCHEMBL4182630

SCHEMBL4182630

CS(=O)(=O)c1ccc(-c2nnc(-c3ccccc3NCC3CCOC3)[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.46
▸ PTGS2 P35354 4/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ WNT3A P56704 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ VCP P55072 1/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ FADS1 O60427 1/20 0.36
▸ TNK2 Q07912 1/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ PTK2 Q05397 1/20 0.35

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
SCHEMBL6234890 0.74 PTGS2 (0.38) PTGS2KDRWNT3ATNKS2JAK2
SCHEMBL6234886 0.74 PTGS2 (0.38) PTGS2PTGS1KDRWNT3ATNKS2
SCHEMBL13605666 0.74 PTGS2 (0.48) PTGS2PTGS1KDRGSK3BJAK2
SCHEMBL4174127 0.72 KDR (0.74) PTGS2PTGS1KDRWNT3ATNKS2
SCHEMBL4178035 0.72 PDE5A (0.48) PTGS2PTGS1KDRGSK3B
SCHEMBL4181032 0.69 KDR (0.58) KDRTNK2
SCHEMBL6234875 0.69 EED (0.38) PTGS2PTGS1WNT3ATNKS2SCD
SCHEMBL4174132 0.68 KDR (0.45) PTGS2PTGS1KDRWNT3ATNKS2
SCHEMBL16042942 0.67 BRD4 (0.57) BRD4
SCHEMBL16042489 0.67 BRD4 (0.57) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents CHEN XIAOLING 2009-12-24 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
US-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2009-02-19 — — US disclosed
WO-2005004818-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS IMCLONE SYSTEMS INCORPORATED (US) 2005-01-20 — — 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 (2 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-20090048301-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS ANTICANCER AGENTS TP53, MCL1, VHL BRD4 186/4885PTGS2 1129/4885PTGS1 835/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL BRD4 186/4885PTGS2 1129/4885PTGS1 835/4885

“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.