SCHEMBL3708539

SCHEMBL3708539

Cc1ccnc2c(Cc3ccc(F)cc3)c(NC(=O)CCC3CCCC3)nn12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 9/20 0.54
KCNQ2 O43526 9/20 0.54
TSHR P16473 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
KLK7 P49862 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL3703651 0.83 NPC1 (0.50) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3712508 0.81 KCNQ3 (0.61) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3710284 0.76 KCNQ3 (0.70) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3714832 0.73 KCNQ3 (0.61) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3702226 0.73 KCNQ3 (0.63) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3709362 0.73 KCNQ3 (0.59) KCNQ3KCNQ2TSHRMEN1NPC1
SCHEMBL3701795 0.72 KCNQ3 (0.61) KCNQ3KCNQ2TSHRNPC1RAB9A
SCHEMBL3707486 0.70 KCNQ3 (1.00) KCNQ3KCNQ2TSHRALDH1A1CYP3A4
SCHEMBL3701916 0.70 MAPK14 (0.52) KCNQ3KCNQ2NPC1RAB9AKMT2A
SCHEMBL26051766 0.69 ALDH1A1 (0.46) KCNQ3KCNQ2TSHRMEN1NPC1

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.