SCHEMBL19686668

SCHEMBL19686668

Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCS(=O)(=O)CC3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 12/20 0.42
HRH4 Q9H3N8 1/20 0.36
CHRM3 P20309 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
NUDT1 P36639 1/20 0.34
ADORA2A P29274 2/20 0.33
IDH2 P48735 1/20 0.33
HTR6 P50406 1/20 0.32
ADORA1 P30542 1/20 0.32
KCNN2 Q9H2S1 1/20 0.32
KCNN3 Q9UGI6 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
SCHEMBL24061661 0.89 CHRM3 (0.46) IDH1HRH4CHRM3PDE4APDE4B
SCHEMBL19686324 0.87 IDH1 (0.41) IDH1HRH4CHRM3PDE4APDE4B
Rimtuzalcap SCHEMBL19686931 0.87 IDH1 (0.43) IDH1HRH4ADORA2AADORA1
Rimtuzalcap SCHEMBL29920754 0.87 IDH1 (0.43) IDH1HRH4ADORA2AADORA1
SCHEMBL21165843 0.85 IDH1 (0.42) IDH1HRH4CHRM3PDE4APDE4B
SCHEMBL19687141 0.84 IDH1 (0.39) IDH1HRH4CHRM3PDE4APDE4B
SCHEMBL19686421 0.84 IDH1 (0.41) IDH1HRH4CHRM3PDE4APDE4B
SCHEMBL19687100 0.83 IDH1 (0.42) IDH1HRH4IDH2KCNN2KCNN3
SCHEMBL21165864 0.83 IDH1 (0.43) IDH1IDH2KCNN2KCNN3
SCHEMBL19686816 0.83 IDH1 (0.43) IDH1IDH2KCNN2KCNN3

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-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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 WO 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 3017/4885HRH4 2164/4885CHRM3 631/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 IDH1 3017/4885HRH4 2164/4885CHRM3 631/4885

“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.