SCHEMBL3704082

SCHEMBL3704082

Cc1ccn2nc(NC(=O)Cc3ccc(F)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.54
KCNQ2 O43526 7/20 0.54
CACNA1H O95180 6/20 0.44
CACNA1G O43497 2/20 0.44
CACNA1I Q9P0X4 2/20 0.44
WNT3A P56704 1/20 0.44
MAPK14 Q16539 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NLRP3 Q96P20 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GPR139 Q6DWJ6 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
SCHEMBL3712462 0.84 KCNQ3 (0.72) KCNQ3KCNQ2CACNA1HCACNA1GCACNA1I
SCHEMBL3709636 0.81 KCNQ3 (0.53) KCNQ3KCNQ2CACNA1HCACNA1GCACNA1I
SCHEMBL3700940 0.72 SCN5A (0.47) KCNQ3KCNQ2PTGS2KDM4EGPR139
SCHEMBL6126180 0.72 KCNQ3 (0.64) KCNQ3KCNQ2CACNA1HCACNA1GCACNA1I
SCHEMBL1321371 0.72 CACNA1H (0.48) CACNA1HCACNA1GCACNA1IMAPK14KDM4E
SCHEMBL3710258 0.72 KCNQ3 (0.70) KCNQ3KCNQ2CACNA1HCACNA1GCACNA1I
SCHEMBL1321122 0.72 NLRP3 (0.43) CACNA1HCACNA1GCACNA1IWNT3AMAPK14
SCHEMBL3695035 0.71 KCNQ3 (0.55) KCNQ3KCNQ2MAPK14PTGS2KDM4E
SCHEMBL3703662 0.70 KCNQ3 (1.00) KCNQ3KCNQ2NPC1RAB9AGPR139
SCHEMBL3701916 0.70 MAPK14 (0.52) KCNQ3KCNQ2WNT3AMAPK14PTGS2

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 5 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
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 2/4885CACNA1H 72/4885

“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.