SCHEMBL4180692

SCHEMBL4180692

CS(=O)(=O)c1ccc(-c2nnc(-c3cccnc3NCCc3c[nH]cn3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.40
PTK2 Q05397 3/20 0.40
KDR P35968 1/20 0.40
PTGS2 P35354 7/20 0.37
PTGS1 P23219 2/20 0.37
PKM P14618 1/20 0.35
SCD O00767 4/20 0.34
FADS1 O60427 1/20 0.32

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
SCHEMBL4179128 0.82 JAK2 (0.52) JAK2PTK2KDRPTGS2PTGS1
SCHEMBL4179290 0.79 CYP1A2 (0.44)
SCHEMBL4180996 0.76 JAK2 (0.52) JAK2PTK2KDRPTGS2
SCHEMBL4179144 0.76 PTGS2 (0.49) KDRPTGS2PTGS1
SCHEMBL4177643 0.75 ADORA1 (0.46) KDR
SCHEMBL4176801 0.75 EED (0.52) KDRPTGS2PTGS1PKM
SCHEMBL4175663 0.74 KDR (0.42) KDRPTGS2PTGS1SCDFADS1
SCHEMBL4184558 0.74 PTGS2 (0.43) KDRPTGS2PTGS1SCD
SCHEMBL4181032 0.72 KDR (0.58) KDR
SCHEMBL4174127 0.72 KDR (0.74) KDRPTGS2PTGS1SCD

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 JAK2 1318/4885PTK2 3731/4885KDR 3284/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL JAK2 1318/4885PTK2 3731/4885KDR 3284/4885

“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.