SCHEMBL21165864

SCHEMBL21165864

Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CC(F)(F)OC(F)(F)C3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 18/20 0.43
IDH2 P48735 1/20 0.34
KCNN2 Q9H2S1 1/20 0.33
KCNN3 Q9UGI6 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
SCHEMBL19686395 0.89 IDH1 (0.42) IDH1IDH2KCNN2KCNN3
SCHEMBL19686816 0.89 IDH1 (0.43) IDH1IDH2KCNN2KCNN3
Rimtuzalcap SCHEMBL29920754 0.86 IDH1 (0.43) IDH1
Rimtuzalcap SCHEMBL19686931 0.86 IDH1 (0.43) IDH1
SCHEMBL24061661 0.86 CHRM3 (0.46) IDH1IDH2KCNN2KCNN3
SCHEMBL21165843 0.85 IDH1 (0.42) IDH1KCNN2KCNN3
SCHEMBL19686817 0.84 IDH1 (0.45) IDH1IDH2KCNN2KCNN3
SCHEMBL19686290 0.84 IDH1 (0.42) IDH1IDH2KCNN2KCNN3
SCHEMBL21165944 0.84 IDH1 (0.42) IDH1IDH2KCNN2KCNN3
SCHEMBL21165898 0.83 KCNN2 (0.52) KCNN2KCNN3

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.