SCHEMBL3703349

SCHEMBL3703349

CC(C)(C)CC(=O)Nc1nn2cccnc2c1C(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 14/20 0.65
KCNQ2 O43526 14/20 0.65
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.39
TGFBR1 P36897 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3710242 0.89 KCNQ3 (0.55) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3712424 0.87 KCNQ3 (0.55) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3706896 0.84 KCNQ3 (0.51) KCNQ3KCNQ2NPC1RAB9AALDH1A1
SCHEMBL3702907 0.84 KCNQ3 (0.61) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3705793 0.83 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3705797 0.83 KCNQ3 (0.60) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3712278 0.82 KCNQ3 (0.49) KCNQ3KCNQ2NPC1RAB9AALDH1A1
SCHEMBL3713625 0.82 KCNQ3 (0.64) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3704943 0.82 KCNQ3 (0.59) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL3704939 0.82 KCNQ3 (0.59) KCNQ3KCNQ2NPC1RAB9ASMN1; 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 2/4885NPC1 493/4885

“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.