SCHEMBL21144216

SCHEMBL21144216

COC(=O)Nc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 10/20 0.39
IDH2 P48735 1/20 0.39
FABP4 P15090 8/20 0.37
FABP5 Q01469 8/20 0.37
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
ABCB1 P08183 1/20 0.33

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
SCHEMBL21165855 0.91 IDH1 (0.41) IDH1IDH2FABP4FABP5
SCHEMBL21143848 0.85 IDH1 (0.43) IDH1IDH2FABP4FABP5
SCHEMBL21143959 0.84 IDH1 (0.40) IDH1IDH2FABP4FABP5ABCB1
SCHEMBL19687423 0.84 TGFBR1 (0.35) IDH1IDH2FABP4FABP5
SCHEMBL31127061 0.82 IDH1 (0.41) IDH1IDH2FABP4FABP5
SCHEMBL19686740 0.82 IDH1 (0.41) IDH1IDH2FABP4FABP5
SCHEMBL21144218 0.82 IDH1 (0.38) IDH1IDH2FABP4FABP5
SCHEMBL19687049 0.82 IDH1 (0.43) IDH1IDH2FABP4FABP5
SCHEMBL19687089 0.81 IDH1 (0.39) IDH1IDH2FABP4FABP5
SCHEMBL21143866 0.81 IDH1 (0.39) IDH1IDH2FABP4FABP5GSK3B

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 2447/4885FABP4 2531/4885

“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.