Sugi Predict

Sugi Predict / Compounds / SCHEMBL4184558

SCHEMBL4184558

SCHEMBL4184558

CS(=O)(=O)c1ccc(-c2nnc(-c3cccnc3NCc3cccc(F)c3)[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 8/20 0.43
▸ KDR P35968 1/20 0.42
▸ PI4KB Q9UBF8 1/20 0.40
▸ SCD O00767 2/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ CASP6 P55212 2/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL4179144 0.89 PTGS2 (0.49) PTGS2KDRPTGS1ALDH1A1
SCHEMBL4175663 0.89 KDR (0.42) PTGS2KDRPI4KBSCDPTGS1
SCHEMBL4180996 0.85 JAK2 (0.52) PTGS2KDRCLK4KDM4EALDH1A1
SCHEMBL4185546 0.84 KDR (0.51) PTGS2KDRPI4KBNTRK1CLK4
SCHEMBL4182621 0.82 TUBB4A (0.50) PTGS2KDRCLK4
SCHEMBL4173244 0.82 PDE5A (0.52) KDRCLK4KDM4EALDH1A1CYP1A2
SCHEMBL4180869 0.80 KDR (0.43) PTGS2KDRPTGS1KDM4E
SCHEMBL4176801 0.79 EED (0.52) PTGS2KDRPTGS1KDM4EALDH1A1
SCHEMBL4179128 0.78 JAK2 (0.52) PTGS2KDRPTGS1ALDH1A1CYP1A2
SCHEMBL4163547 0.74 TUBB4A (0.50) PTGS2KDRPTGS1

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 PTGS2 1129/4885KDR 3284/4885PI4KB 1233/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PTGS2 1129/4885KDR 3284/4885PI4KB 1233/4885

“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.