SCHEMBL21144007

SCHEMBL21144007

COC(=O)Nc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.42
IDH2 P48735 3/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CD38 P28907 1/20 0.32
KIF18A Q8NI77 1/20 0.32
PIK3C3 Q8NEB9 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
SCHEMBL21143835 0.85 IDH1 (0.44) IDH1IDH2GSK3BDYRK1ACD38
SCHEMBL31127106 0.85 IDH1 (0.44) IDH1IDH2GSK3BDYRK1ACD38
SCHEMBL21144008 0.84 IDH1 (0.43) IDH1IDH2CD38
SCHEMBL19686966 0.84 IDH1 (0.45) IDH1IDH2
SCHEMBL19686734 0.84 IDH1 (0.50) IDH1IDH2
SCHEMBL31127138 0.84 IDH1 (0.50) IDH1IDH2
SCHEMBL21144351 0.83 IDH1 (0.47) IDH1IDH2
SCHEMBL19686292 0.83 IDH1 (0.47) IDH1IDH2
SCHEMBL31127241 0.83 IDH1 (0.47) IDH1IDH2
SCHEMBL19686392 0.82 IDH1 (0.43) IDH1IDH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (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-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885GSK3B 2806/4885

“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.