SCHEMBL3704290

SCHEMBL3704290

CC(C)(C)c1c(NC(=O)Cc2ccc(F)cc2)nn2cccnc12

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 8/20 0.61
KCNQ2 O43526 8/20 0.61
CACNA1H O95180 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR6 P50406 1/20 0.43
MAPK14 Q16539 1/20 0.42
GAA P10253 2/20 0.42
AXL P30530 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL3706896 0.90 KCNQ3 (0.51) KCNQ3KCNQ2CACNA1HHTR6MEN1
SCHEMBL3702409 0.89 KCNQ3 (0.63) KCNQ3KCNQ2ANO1
SCHEMBL3700728 0.89 KMT2A (0.49) KCNQ3KCNQ2CACNA1HGAAKMT2A
SCHEMBL3699116 0.89 KCNQ3 (0.53) KCNQ3KCNQ2ANO1HTR6MEN1
SCHEMBL6126060 0.89 KCNQ3 (0.56) KCNQ3KCNQ2CACNA1HANO1TSHR
SCHEMBL6126197 0.88 KCNQ2 (0.56) KCNQ3KCNQ2CACNA1HANO1TSHR
SCHEMBL6126634 0.88 KCNQ3 (0.56) KCNQ3KCNQ2CACNA1HANO1TSHR
SCHEMBL3699193 0.87 KCNQ2 (0.50) KCNQ3KCNQ2CACNA1HKMT2ASMN1; SMN2
SCHEMBL3699188 0.87 KCNQ3 (0.47) KCNQ3KCNQ2CACNA1HMEN1KMT2A
SCHEMBL3707456 0.84 KDM4E (0.49) KCNQ3KCNQ2ANO1GAASMN1; 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 2/4885CACNA1H 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.