SCHEMBL1648636

SCHEMBL1648636

O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3cccc4ccccc34)c(C(Cl)(Cl)Cl)nn12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.50
KCNQ2 O43526 5/20 0.50
KCNQ1 P51787 1/20 0.36
TYMP P19971 1/20 0.35
ARF6 P62330 2/20 0.32
LDHA P00338 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALPL P05186 1/20 0.31
GAA P10253 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
SCHEMBL10062355 0.93 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ1TYMPARF6
SCHEMBL1613890 0.87 KCNQ3 (0.49) KCNQ3KCNQ2KCNQ1TYMPLDHA
SCHEMBL1613887 0.84 KCNQ3 (0.47) KCNQ3KCNQ2KCNQ1TYMPARF6
SCHEMBL1648643 0.81 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ1TYMPADORA3
SCHEMBL1279220 0.81 KCNQ3 (0.43) KCNQ3KCNQ2TYMPARF6LDHA
SCHEMBL1279244 0.81 KCNQ3 (0.42) KCNQ3KCNQ2TYMPARF6KDM4E
SCHEMBL10062354 0.79 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ1ARF6KDM4E
SCHEMBL1278970 0.76 ARF6 (0.52) KCNQ3KCNQ2TYMPARF6ADORA3
SCHEMBL1279423 0.75 KCNQ3 (0.43) KCNQ3KCNQ2ARF6LDHAKDM4E
SCHEMBL1614874 0.75 KCNQ3 (0.38) KCNQ3KCNQ2LDHAHTR2AHTR2C

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.