SCHEMBL1648643

SCHEMBL1648643

O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3cccs3)c(C(Cl)(Cl)Cl)nn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.41
KCNQ2 O43526 4/20 0.41
KCNQ1 P51787 1/20 0.35
MAPK14 Q16539 4/20 0.33
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 1/20 0.32
TYMP P19971 1/20 0.32
PARP1 P09874 1/20 0.31
PIK3CD O00329 1/20 0.31
PRKDC P78527 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1649492 0.93 KCNQ3 (0.44) KCNQ3KCNQ2KCNQ1MAPK14ADORA3
SCHEMBL1279267 0.89 KCNQ3 (0.37) KCNQ3KCNQ2MAPK14ADORA3ADORA2A
SCHEMBL1613674 0.87 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ1MAPK14ADORA3
SCHEMBL1615074 0.84 KCNQ3 (0.38) KCNQ3KCNQ2KCNQ1MAPK14ADORA3
SCHEMBL1648636 0.81 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ1ADORA3TYMP
SCHEMBL1278633 0.80 HPGD (0.38) MAPK14ADORA3ADORA2ATYMPPARP1
SCHEMBL1279250 0.80 KCNQ3 (0.51) KCNQ3KCNQ2MAPK14ADORA3PARP1
SCHEMBL1278995 0.80 KCNQ3 (0.41) KCNQ3KCNQ2MAPK14ADORA3PARP1
SCHEMBL1614956 0.80 PLAT (0.44) KCNQ3KCNQ2KCNQ1ADORA3ADORA2A
SCHEMBL1278817 0.77 SMN1; SMN2 (0.39) KCNQ3KCNQ2MAPK14ADORA3ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796285-B2 Pyrazolo [1,5-a]-pyrimidones derivatives and pharmaceutical compositions and uses thereof HEBEI MEDICAL UNIVERSITY (CN) 2014-08-05 US disclosed
US-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof PEKING UNIVERSITY (CN) 2012-04-12 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-20120088775-A1 Pyrazolo-[1,5-a]-Pyrimidones Derivatives and Pharmaceutical Compositions and Uses Thereof KCNJ2, KCNQ5, KCNJ11 KCNQ3 12/4885KCNQ2 9/4885KCNQ1 10/4885

“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.