SCHEMBL4170579

SCHEMBL4170579

CN(C)c1ccc(-c2nnc(NC3=COC=C(C4=CC=CCC4)O3)[nH]2)c([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.34
ACHE P22303 4/20 0.32
PTGS2 P35354 4/20 0.32
BCHE P06276 2/20 0.31

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
SCHEMBL4178059 0.87 GUSB (0.32) ACHE
SCHEMBL4163399 0.76
SCHEMBL4187693 0.71 KDM4E (0.33)
SCHEMBL4185175 0.69 KDR (0.36)
SCHEMBL4169675 0.68 HTR6 (0.36) ACHE
SCHEMBL3999919 0.68 MEN1 (0.31)
SCHEMBL4177106 0.66 KDR (0.44)
SCHEMBL4532308 0.66 KDR (0.40)
SCHEMBL4181111 0.65 KDR (0.32)
SCHEMBL4173259 0.65 TUBB4A (0.42) ACHEBCHE

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 2 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

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 GRK6 3915/4885ACHE 2768/4885PTGS2 1129/4885
US-20090318438-A1 Heterocyclic compounds and their use as anticancer agents TP53, MCL1, VHL GRK6 3915/4885ACHE 2768/4885PTGS2 1129/4885

“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.