SCHEMBL963638

SCHEMBL963638

CCCNc1nc(NCc2ccc(F)cc2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 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
CYP2C19 P33261 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
SCHEMBL8046357 0.85 HSD17B10 (0.48) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL15715263 0.79 KCNQ3 (0.55) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL966208 0.79 SIRT5 (0.49) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL317275 0.78 KCNQ3 (0.55) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL954172 0.76 MAPK1 (0.51) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL938904 0.75 HSD17B10 (0.50) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL963640 0.75 KCNQ3 (0.50) KCNQ3KCNQ2ABCB11ESR1CYP1A2
SCHEMBL15720070 0.75 CA1 (0.60) HSD17B10APPKDM4EMEN1KMT2A
SCHEMBL15739162 0.75 CA1 (0.60) HSD17B10APPKDM4EMEN1KMT2A
SCHEMBL15714933 0.74 KCNQ3 (0.55) KCNQ3KCNQ2ABCB11ESR1CYP1A2

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-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
EP-2231609-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NeuroSearch A/S (DK) 2010-09-29 EP disclosed
WO-2009074594-A1 NOVEL 2-ETHYL-METHYL-AMINO-3-AMIDO-6-AMINO-PYRIDINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL ACTIVATORS NEUROSEARCH A/S (DK) 2009-06-18 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 (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 KCNQ3 17/4885KCNQ2 8/4885ABCB11 2622/4885

“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.