Sugi Predict

Sugi Predict / Compounds / SCHEMBL954416

SCHEMBL954416

SCHEMBL954416

CCN(CC)c1nc(NCC(C)(C)C)ccc1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 2/20 0.41
▸ KCNQ2 O43526 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PSEN1 P49768 13/20 0.40
▸ PSEN2 P49810 13/20 0.40
▸ APH1B Q8WW43 13/20 0.40
▸ NCSTN Q92542 13/20 0.40
▸ APH1A Q96BI3 13/20 0.40
▸ PSENEN Q9NZ42 13/20 0.40
▸ CACNA1H O95180 2/20 0.36
▸ ABCB11 O95342 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL30794749 1.00 KCNQ3 (0.41) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL968190 0.91 KCNQ3 (0.41) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL957548 0.86 MEN1 (0.41) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL30796040 0.86 MEN1 (0.41) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL30794397 0.86 KCNQ3 (0.51) KCNQ3KCNQ2MEN1KMT2ACACNA1H
SCHEMBL953813 0.86 KCNQ3 (0.51) KCNQ3KCNQ2MEN1KMT2ACACNA1H
SCHEMBL955731 0.82 MEN1 (0.40) KCNQ3KCNQ2MEN1KMT2ACACNA1H
SCHEMBL953928 0.82 MEN1 (0.40) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL30796708 0.82 MEN1 (0.40) KCNQ3KCNQ2MEN1KMT2APSEN1
SCHEMBL957341 0.77 KCNQ2 (0.48) KCNQ3KCNQ2MEN1KMT2ACACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 — — US claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
US-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 — — 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-20110003865-A1 NOVEL 2-DIETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 KCNQ3 13/4885KCNQ2 7/4885MEN1 1888/4885

“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.