SCHEMBL3695326

SCHEMBL3695326

Cc1cnc2c(-c3ccc(F)cc3)c(NC(=O)Cc3ccc(Cl)cc3)nn2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.57
KCNQ2 O43526 6/20 0.57
PTGS2 P35354 1/20 0.47
MAPK14 Q16539 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
CACNA1H O95180 3/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
WNT3A P56704 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3696279 0.90 KCNQ3 (0.52) KCNQ3KCNQ2SMN1; SMN2LMNAHPGD
SCHEMBL3706860 0.90 MAPK14 (0.56) KCNQ3KCNQ2PTGS2MAPK14SMN1; SMN2
SCHEMBL3703621 0.89 KCNQ3 (0.58) KCNQ3KCNQ2PTGS2MAPK14SMN1; SMN2
SCHEMBL3698911 0.85 KCNQ3 (0.56) KCNQ3KCNQ2PTGS2MAPK14SMN1; SMN2
SCHEMBL3706797 0.85 KCNQ3 (0.51) KCNQ3KCNQ2SMN1; SMN2MAPTLMNA
SCHEMBL3708663 0.82 KCNQ2 (0.52) KCNQ3KCNQ2PTGS2MAPK14RAB9A
SCHEMBL3704649 0.78 KCNQ3 (0.50) KCNQ3KCNQ2SMN1; SMN2MAPTLMNA
SCHEMBL3698052 0.76 KCNQ3 (0.61) KCNQ3KCNQ2MAPK14WNT3A
SCHEMBL3710537 0.75 PDE2A (0.46) KCNQ3KCNQ2SMN1; SMN2LMNAHTT
SCHEMBL3701916 0.74 MAPK14 (0.52) KCNQ3KCNQ2PTGS2MAPK14SMN1; SMN2

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 2/4885PTGS2 1276/4885

“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.