SCHEMBL3706845

SCHEMBL3706845

Cc1cc(C)n2nc(NC(=O)CC(C)(C)C)c(-c3ccc(F)c(C)c3)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 12/20 1.00
KCNQ2 O43526 12/20 1.00
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.38
HTR6 P50406 2/20 0.38
PKM P14618 1/20 0.38
TSPO P30536 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL3705794 0.82 KCNQ3 (0.98) KCNQ3KCNQ2
SCHEMBL3702369 0.80 KCNQ3 (0.66) KCNQ3KCNQ2POLBKDM4ETSPO
SCHEMBL3696097 0.78 KCNQ3 (0.65) KCNQ3KCNQ2PTGS2
SCHEMBL3700048 0.74 KCNQ3 (0.75) KCNQ3KCNQ2POLB
SCHEMBL31451191 0.73 KCNQ2 (0.58) KCNQ3KCNQ2
SCHEMBL31451626 0.73 KCNQ2 (0.58) KCNQ3KCNQ2
SCHEMBL3706186 0.73 KCNQ3 (0.57) KCNQ3KCNQ2KDM4EMEN1KMT2A
SCHEMBL3708798 0.72 KCNQ3 (0.56) KCNQ3KCNQ2POLBKDM4EPTGS2
SCHEMBL3703282 0.72 KCNQ3 (0.56) KCNQ3KCNQ2POLBKDM4EMEN1
SCHEMBL3701966 0.72 KCNQ3 (0.56) KCNQ3KCNQ2POLBKDM4EMEN1

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 2/4885POLB 4527/4885

“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.