SCHEMBL20549560

SCHEMBL20549560

C[C@H]1COc2c(Br)c(F)cc3cc(C#N)c(=O)n1c23

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
GSK3B P49841 5/20 0.33
GPR35 Q9HC97 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
SCHEMBL20552022 1.00 KCNH2 (0.38) KCNH2GSK3BGPR35
SCHEMBL20549392 0.80 KDM4E (0.33) GSK3B
SCHEMBL20549418 0.80 KCNH2 (0.48) KCNH2GSK3BGPR35
SCHEMBL20549470 0.79 KCNH2 (0.42) KCNH2GSK3B
SCHEMBL20549449 0.77 KCNH2 (0.35) KCNH2
SCHEMBL20549456 0.77 KDM4E (0.38) KCNH2GPR35
SCHEMBL20549194 0.75 KCNH2 (0.68) KCNH2
SCHEMBL17494399 0.73 KCNH2 (0.57) KCNH2
SCHEMBL17529316 0.69 KDM4E (0.36)
SCHEMBL18925666 0.69 TOP2A (0.33)

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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2018-11-08 US disclosed
WO-2018203302-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS NOVARTIS AG (CH) 2018-11-08 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 (1 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-20180318311-A1 TRICYCLIC 2-QUINOLINONES AS ANTIBACTERIALS TOP1, TOP2A, TOP2B KCNH2 2920/4885GSK3B 787/4885GPR35 3325/4885

“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.