SCHEMBL938591

SCHEMBL938591

CC(C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N(C)C)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
ABCB11 O95342 1/20 0.48
ESR1 P03372 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
NFKB1 P19838 1/20 0.48
TBXA2R P21731 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
SHMT2 P34897 1/20 0.48
PTGS2 P35354 1/20 0.48
OPRK1 P41145 1/20 0.48

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
SCHEMBL938588 1.00 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL30796176 1.00 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL30795025 0.90 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL958075 0.90 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL958077 0.90 CYP3A4 (0.48) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL1172229 0.81 KCNQ2 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL1172232 0.81 KCNQ2 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL30814214 0.81 KCNQ2 (0.50) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL967336 0.78 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3
SCHEMBL967338 0.78 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9CYP2C19KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2011-01-06 US claimed
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-20110003866-A1 NOVEL 2-DIMETHYLAMINO-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-20110003866-A1 NOVEL 2-DIMETHYLAMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNJ2, KCNN3 CYP3A4 3640/4885CYP2D6 1599/4885CYP2C9 4214/4885

“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.