SCHEMBL17481503

SCHEMBL17481503

[2H]C([2H])([2H])C(C)(C)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 6/20 0.35
KCNQ3 O43525 5/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HIF1A Q16665 1/20 0.32
RORC P51449 2/20 0.32
EGFR P00533 2/20 0.32
CDK9 P50750 1/20 0.31

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
SCHEMBL17481462 0.98 KCNQ2 (0.35) KCNQ2KCNQ3KCNQ4KCNQ5OPRM1
SCHEMBL16084232 0.94 KCNQ2 (0.38) KCNQ2KCNQ3KCNQ4KCNQ5OPRM1
SCHEMBL16084424 0.89 ALK (0.34) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL17481514 0.87 MAPT (0.35) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL17481386 0.87 USP2 (0.35) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL19276057 0.86 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL17481415 0.86 EGFR (0.35) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL19276081 0.86 ALK (0.33) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL19276206 0.86 MAPK8 (0.35) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL19276066 0.86 MAPK8 (0.35) OPRM1OPRD1OPRK1OPRL1OGFRL1

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-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2017-08-24 US disclosed
US-9650376-B2 Imidazo(4,5-B) pyridin-2-yl amides as KV7 channel activators KNOPP BIOSCIENCES LLC (US) 2017-05-16 US disclosed
US-20160031875-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS CHANNEL BIOSCIENCES, LLC 2016-02-04 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 (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-20160031875-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 KCNQ2 8/4885KCNQ3 25/4885KCNQ4 30/4885
US-20170240547-A1 IMIDAZO(4,5-B) PYRIDIN-2-YL AMIDES AS KV7 CHANNEL ACTIVATORS KCNA7, KCNA2, KCNK17 KCNQ2 8/4885KCNQ3 25/4885KCNQ4 30/4885

“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.