SCHEMBL3703085

SCHEMBL3703085

O=C(Cc1ccc(Cl)cc1)Nc1nn2cccnc2c1-c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 11/20 0.52
KCNQ2 O43526 11/20 0.52
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.46
JAK2 O60674 5/20 0.45
RET P07949 1/20 0.45
JAK3 P52333 1/20 0.44
JAK1 P23458 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL3700376 0.94 KCNQ2 (0.55) KCNQ3KCNQ2KMT2AJAK2JAK1
SCHEMBL3703211 0.91 KCNQ3 (0.54) KCNQ3KCNQ2ALDH1A1KMT2AJAK2
SCHEMBL3700529 0.86 KCNQ3 (0.58) KCNQ3KCNQ2ALDH1A1KMT2A
SCHEMBL3704262 0.85 KCNQ3 (0.56) KCNQ3KCNQ2ALDH1A1KMT2AJAK2
SCHEMBL3707686 0.84 KCNQ3 (0.61) KCNQ3KCNQ2JAK2JAK3
SCHEMBL3702539 0.81 KCNQ3 (0.52) KCNQ3KCNQ2ALDH1A1KMT2AJAK2
SCHEMBL3695045 0.81 KCNQ3 (0.57) KCNQ3KCNQ2KMT2AJAK2JAK3
SCHEMBL6126704 0.81 KCNQ3 (0.57) KCNQ3KCNQ2KMT2AJAK2JAK3
SCHEMBL3698144 0.81 KCNQ3 (0.53) KCNQ3KCNQ2JAK2JAK3IRAK4
SCHEMBL3706567 0.80 KCNQ3 (0.47) KCNQ3KCNQ2KMT2AJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US claimed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO claimed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 US claimed
US-8609669-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067822-A1 PYRAZOLO [1, 5 -A] PYRIMIDIN POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122888-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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-20120122888-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNJ2 KCNQ3 4/4885KCNQ2 2/4885ALDH1A1 1773/4885

“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.