SCHEMBL3712508

SCHEMBL3712508

Cc1cnc2c(Cc3ccc(F)cc3)c(NC(=O)CCC3CCCCC3)nn2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.61
KCNQ2 O43526 10/20 0.61
TSHR P16473 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 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
SCHEMBL3701795 0.90 KCNQ3 (0.61) KCNQ3KCNQ2TSHRNPC1RAB9A
SCHEMBL3709168 0.83 KCNQ3 (0.60) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3708539 0.81 KCNQ3 (0.54) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3701833 0.79 KCNQ3 (0.61) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3702890 0.78 KCNQ3 (0.62) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3700639 0.77 KCNQ3 (0.98) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3710537 0.77 PDE2A (0.46) KCNQ3KCNQ2SMN1; SMN2KDM4EALDH1A1
SCHEMBL3709247 0.76 KCNQ3 (0.87) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3707082 0.76 KCNQ3 (1.00) KCNQ3KCNQ2TSHRNPC1MEN1
SCHEMBL3701255 0.70 KCNQ3 (0.59) KCNQ3KCNQ2NPC1MEN1RAB9A

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 2/4885TSHR 1117/4885

“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.