SCHEMBL964559

SCHEMBL964559

CCN(C)c1nc(NCc2c(C)cccc2C)ccc1NC(=O)Cc1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
KCNH2 Q12809 2/20 0.39
ABCB11 O95342 1/20 0.39
ESR1 P03372 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
TBXA2R P21731 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL955731 0.92 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL939352 0.92 MEN1 (0.42) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL964013 0.85 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL953928 0.84 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL30796708 0.84 MEN1 (0.40) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL937493 0.84 MEN1 (0.42) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL968190 0.83 KCNQ3 (0.41) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL965669 0.82 KCNQ2 (0.48) MEN1KMT2AKCNQ3KCNQ2CYP3A4
SCHEMBL30795010 0.79 KCNQ2 (0.46) MEN1KMT2AKCNQ3KCNQ2ALDH1A1
SCHEMBL1172904 0.79 KCNQ2 (0.46) MEN1KMT2AKCNQ3KCNQ2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-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-20110003867-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS KCNA7, KCNN3, KCNJ2 MEN1 2985/4885KMT2A 458/4885KCNQ3 17/4885

“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.