SCHEMBL21165902

SCHEMBL21165902

COC(=O)NC(C)(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 9/20 0.36
IDH2 P48735 2/20 0.32
PDE2A O00408 1/20 0.32
TPH1 P17752 1/20 0.31
SYK P43405 1/20 0.30
KDM1A O60341 1/20 0.30
FAAH O00519 1/20 0.30
WHR1 P49842 1/20 0.30

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
SCHEMBL21143705 0.92 IDH1 (0.38) IDH1IDH2TPH1SYKKDM1A
SCHEMBL19687059 0.85 IDH1 (0.41) IDH1IDH2
SCHEMBL21143998 0.83 IDH1 (0.41) IDH1IDH2
SCHEMBL31127349 0.83 IDH1 (0.41) IDH1IDH2
SCHEMBL19686775 0.81 MAPK1 (0.36) IDH1
SCHEMBL19686409 0.81 PDE2A (0.35) IDH1PDE2A
SCHEMBL21144135 0.80 IDH1 (0.42) IDH1IDH2
SCHEMBL31127405 0.80 IDH1 (0.39) IDH1KDM1A
SCHEMBL21143919 0.80 IDH1 (0.39) IDH1IDH2KDM1A
SCHEMBL21144072 0.80 IDH1 (0.39) IDH1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317705-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2024-09-26 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
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 (3 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-20240317705-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PDE2A 758/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PDE2A 758/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885PDE2A 758/4885

“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.