SCHEMBL3700376

SCHEMBL3700376

O=C(Cc1ccccc1)Nc1nn2cccnc2c1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 12/20 0.55
KCNQ3 O43525 11/20 0.55
CACNA1G O43497 1/20 0.47
CACNA1H O95180 1/20 0.47
CACNA1C Q13936 1/20 0.47
CACNA1I Q9P0X4 1/20 0.47
TMIGD3 P0DMS9 1/20 0.47
TP53 P04637 1/20 0.46
JAK2 O60674 3/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK1 P23458 1/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL3703085 0.94 KCNQ3 (0.52) KCNQ2KCNQ3JAK2KMT2AJAK1
SCHEMBL3700529 0.89 KCNQ3 (0.58) KCNQ2KCNQ3CACNA1GCACNA1HCACNA1I
SCHEMBL3703211 0.85 KCNQ3 (0.54) KCNQ2KCNQ3JAK2KMT2A
SCHEMBL3695045 0.82 KCNQ3 (0.57) KCNQ2KCNQ3TMIGD3JAK2MEN1
SCHEMBL3707686 0.82 KCNQ3 (0.61) KCNQ2KCNQ3JAK2MAPT
SCHEMBL3704262 0.81 KCNQ3 (0.56) KCNQ2KCNQ3JAK2NPC1RAB9A
SCHEMBL3705746 0.81 KCNQ3 (0.64) KCNQ2KCNQ3TMIGD3TP53MEN1
SCHEMBL6126704 0.81 KCNQ3 (0.57) KCNQ2KCNQ3TP53JAK2MEN1
SCHEMBL3706567 0.80 KCNQ3 (0.47) KCNQ2KCNQ3TP53JAK2MEN1
SCHEMBL3706670 0.80 KCNQ3 (0.78) KCNQ2KCNQ3JAK2MEN1KMT2A

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 KCNQ2 2/4885KCNQ3 4/4885CACNA1G 64/4885

“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.