Sugi Predict

Sugi Predict / Compounds / SCHEMBL4175663

SCHEMBL4175663

SCHEMBL4175663

CS(=O)(=O)c1ccc(-c2nnc(-c3cccnc3NCc3ccc(F)c(F)c3)[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.42
▸ PTGS2 P35354 8/20 0.41
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBA3C P0DPH7 2/20 0.41
▸ TUBA1B P68363 2/20 0.41
▸ TUBA4A P68366 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBA3E Q6PEY2 2/20 0.41
▸ TUBA1A Q71U36 2/20 0.41
▸ TUBA1C Q9BQE3 2/20 0.41
▸ TUBB6 Q9BUF5 2/20 0.41
▸ TUBB2B Q9BVA1 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ SCD O00767 3/20 0.40
▸ FADS1 O60427 1/20 0.40
▸ CCNT1 O60563 2/20 0.40

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) KDRPTGS2PTGS1
SCHEMBL4184558 0.89 PTGS2 (0.43) KDRPTGS2SCDTGFBR1PTGS1
SCHEMBL4182621 0.84 TUBB4A (0.50) KDRPTGS2TUBB4ATUBBTUBA3C
SCHEMBL4173244 0.84 PDE5A (0.52) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4180996 0.83 JAK2 (0.52) KDRPTGS2
SCHEMBL4180869 0.82 KDR (0.43) KDRPTGS2TUBB4ATUBBTUBA3C
SCHEMBL4168506 0.79 CLK4 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4176801 0.79 EED (0.52) KDRPTGS2TUBB4ATUBBTUBA3C
SCHEMBL4177551 0.79 TUBB4A (0.61) KDRTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4179128 0.76 JAK2 (0.52) KDRPTGS2PTGS1

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 KDR 3284/4885PTGS2 1129/4885TUBB4A 777/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL KDR 3284/4885PTGS2 1129/4885TUBB4A 777/4885

“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.