SCHEMBL4180993

SCHEMBL4180993

CS(=O)(=O)c1ccc(-c2nnc(-c3cccnc3C(N)c3cccnc3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.47
PTGS1 P23219 6/20 0.40
EGFR P00533 1/20 0.35
ATR Q13535 1/20 0.35
SCD O00767 1/20 0.35
CDK2 P24941 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
LRRK2 Q5S007 1/20 0.34

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
SCHEMBL4180853 0.78 KCNA5 (0.40)
SCHEMBL4172618 0.77 KCNA5 (0.48)
SCHEMBL4180996 0.73 JAK2 (0.52) PTGS2
SCHEMBL4179128 0.71 JAK2 (0.52) PTGS2PTGS1
SCHEMBL4199103 0.71 PTGS2 (0.52) PTGS2PTGS1LRRK2
SCHEMBL4176803 0.69 PTGS2 (0.40) PTGS2PTGS1SCDCDK2DYRK1B
SCHEMBL4178005 0.69 MAPT (0.39)
SCHEMBL4186196 0.67 TUBB4A (0.42) EGFRCDK2
SCHEMBL14555904 0.67 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL2640537 0.67 JAK2 (0.59) PTGS2

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-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
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 1129/4885PTGS1 835/4885EGFR 1090/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL PTGS2 1129/4885PTGS1 835/4885EGFR 1090/4885

“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.