SCHEMBL1614874

SCHEMBL1614874

Cc1nn2c(=O)cc(-c3cc(F)c(F)c(F)c3F)[nH]c2c1-c1cccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.38
KCNQ2 O43526 5/20 0.38
PLAT P00750 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
LDHA P00338 1/20 0.34
DHFR P00374 1/20 0.33
PSD A5PKW4 1/20 0.33

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
SCHEMBL1614238 0.90 KCNQ3 (0.38) KCNQ3KCNQ2PLATHTR2AHTR2C
SCHEMBL1613890 0.88 KCNQ3 (0.49) KCNQ3KCNQ2PLATHTR2AHTR2C
SCHEMBL1279220 0.86 KCNQ3 (0.43) KCNQ3KCNQ2LDHAPSD
SCHEMBL1613456 0.84 KCNQ3 (0.42) KCNQ3KCNQ2PLAT
SCHEMBL1614570 0.83 ADORA2A (0.40) KCNQ3KCNQ2HTR2AHTR2CADORA2A
SCHEMBL1614119 0.81 DHFR (0.40) KCNQ3KCNQ2PLATHTR2AHTR2C
SCHEMBL1614156 0.80 KMT2A (0.39) HTR2AHTR2CPSD
SCHEMBL1614738 0.79 KCNQ3 (0.46) KCNQ3KCNQ2PLAT
SCHEMBL1614110 0.78 KCNQ3 (0.45) KCNQ3KCNQ2PLATHTR2AHTR2C
SCHEMBL1613592 0.78 KDM4E (0.43) PLAT

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 9/4885PLAT 1286/4885

“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.