SCHEMBL3698702

SCHEMBL3698702

O=C(Cc1ccc(F)cc1)Nc1nn2cccnc2c1-c1ccc(Cl)nc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 13/20 0.61
KCNQ2 O43526 13/20 0.61
MAPK14 Q16539 2/20 0.45
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
WNT3A P56704 1/20 0.41
CACNA1H O95180 1/20 0.41
PTGS2 P35354 1/20 0.40
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL3707686 0.85 KCNQ3 (0.61) KCNQ3KCNQ2MAPK14WNT3AJAK2
SCHEMBL3698052 0.84 KCNQ3 (0.61) KCNQ3KCNQ2MAPK14TSHRTDP1
SCHEMBL3706671 0.84 KCNQ3 (0.60) KCNQ3KCNQ2MAPK14TSHRTDP1
SCHEMBL3703211 0.83 KCNQ3 (0.54) KCNQ3KCNQ2WNT3AJAK2JAK3
SCHEMBL3702355 0.82 KCNQ3 (0.73) KCNQ3KCNQ2MAPK14
SCHEMBL3712462 0.81 KCNQ3 (0.72) KCNQ3KCNQ2MAPK14CACNA1HPTGS2
SCHEMBL3695045 0.80 KCNQ3 (0.57) KCNQ3KCNQ2MAPK14JAK2JAK3
SCHEMBL6126704 0.80 KCNQ3 (0.57) KCNQ3KCNQ2MAPK14JAK2JAK3
SCHEMBL3700529 0.80 KCNQ3 (0.58) KCNQ3KCNQ2MAPK14CACNA1H
SCHEMBL3704262 0.79 KCNQ3 (0.56) KCNQ3KCNQ2MAPK14JAK2JAK3

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 2/4885MAPK14 3073/4885

“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.