SCHEMBL21165978

SCHEMBL21165978

COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C)n2)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.47
IDH2 P48735 1/20 0.36
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35
BRD4 O60885 1/20 0.35
PDE2A O00408 1/20 0.34
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 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
SCHEMBL31127335 0.90 KCNN2 (0.36) IDH1KCNN2KCNN3
SCHEMBL21143731 0.90 KCNN2 (0.36) IDH1KCNN2KCNN3
SCHEMBL21165972 0.90 IDH1 (0.47) IDH1IDH2KCNN2KCNN3
SCHEMBL21165871 0.90 IDH1 (0.45) IDH1IDH2KCNN2KCNN3
SCHEMBL21165970 0.88 IDH1 (0.45) IDH1IDH2
SCHEMBL19686400 0.88 IDH1 (0.44) IDH1IDH2KCNN2KCNN3
SCHEMBL19686279 0.88 IDH1 (0.51) IDH1IDH2KCNN2KCNN3
SCHEMBL19686966 0.88 IDH1 (0.45) IDH1IDH2BRD4EHMT2EHMT1
SCHEMBL19686985 0.87 IDH1 (0.47) IDH1IDH2KCNN2KCNN3BRD4
SCHEMBL19686539 0.86 IDH1 (0.42) IDH1IDH2KCNN2KCNN3BRD4

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-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 (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-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885KCNN2 5/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885IDH2 2447/4885KCNN2 5/4885

“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.