SCHEMBL1613674

SCHEMBL1613674

Cc1nn2c(=O)cc(-c3cc(F)c(Cl)nc3Cl)[nH]c2c1-c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.40
KCNQ2 O43526 3/20 0.40
ADORA3 P0DMS8 2/20 0.34
PARP1 P09874 1/20 0.34
KCNQ1 P51787 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ADORA2A P29274 1/20 0.33
KDM1A O60341 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
GAA P10253 1/20 0.33
PLAT P00750 2/20 0.33
TYMP P19971 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL1614738 0.87 KCNQ3 (0.46) KCNQ3KCNQ2ADORA3PARP1ALDH1A1
SCHEMBL1614981 0.87 KCNQ3 (0.37) KCNQ3KCNQ2ADORA3PARP1ALDH1A1
SCHEMBL1649492 0.87 KCNQ3 (0.44) KCNQ3KCNQ2ADORA3KCNQ1ALDH1A1
SCHEMBL1648643 0.87 KCNQ3 (0.41) KCNQ3KCNQ2ADORA3PARP1KCNQ1
SCHEMBL1615074 0.85 KCNQ3 (0.38) KCNQ3KCNQ2ADORA3KCNQ1ALDH1A1
SCHEMBL1614778 0.84 KCNQ3 (0.46) KCNQ3KCNQ2KCNQ1ALDH1A1PLAT
SCHEMBL1614776 0.82 PSD (0.39) KCNQ3KCNQ2KCNQ1ALDH1A1PLAT
SCHEMBL1614956 0.81 PLAT (0.44) KCNQ3KCNQ2ADORA3PARP1KCNQ1
SCHEMBL1613890 0.81 KCNQ3 (0.49) KCNQ3KCNQ2KCNQ1ADORA2APLAT
SCHEMBL1614734 0.80 MAPK14 (0.40) ADORA3PARP1ALDH1A1ADORA2ATYMP

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 9/4885ADORA3 164/4885

“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.