SCHEMBL1720895

SCHEMBL1720895

O=C(Nc1ccc(Cl)nc1)c1cccnc1F

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 18/20 0.59
KCNQ2 O43526 18/20 0.59
KCNE1 P15382 15/20 0.59
KCNQ1 P51787 15/20 0.59
BACE1 P56817 1/20 0.59
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL4600539 0.84 KMT2A (0.63) ALDH1A1
SCHEMBL1721583 0.83 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL1720439 0.82 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL1720440 0.82 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7514511 0.81 KCNQ3 (0.60) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4599740 0.79 PRKCI (0.67) ALDH1A1
SCHEMBL447449 0.78 NAPRT (0.51) ALDH1A1
SCHEMBL6106141 0.77 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14083622 0.76 TRPV1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL445818 0.76 EGLN1 (0.62)

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
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 KCNQ3 3/4885KCNQ2 2/4885KCNE1 28/4885

“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.