SCHEMBL1614738

SCHEMBL1614738

Cc1nn2c(=O)cc(-c3cc(F)c(F)c(F)c3F)[nH]c2c1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
ADORA3 P0DMS8 1/20 0.33
PARP1 P09874 1/20 0.33
PLAT P00750 5/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
MAPT P10636 4/20 0.31
POLB P06746 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPK14 Q16539 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
SCHEMBL1614981 0.90 KCNQ3 (0.37) KCNQ3KCNQ2ADORA3PARP1PLAT
SCHEMBL1613674 0.87 KCNQ3 (0.40) KCNQ3KCNQ2ADORA3PARP1PLAT
SCHEMBL1279250 0.86 KCNQ3 (0.51) KCNQ3KCNQ2ADORA3PARP1ALDH1A1
SCHEMBL1613456 0.83 KCNQ3 (0.42) KCNQ3KCNQ2PLATALDH1A1HPGD
SCHEMBL1613668 0.81 ADORA3 (0.39) ADORA3PARP1ALDH1A1HPGDKDM4E
SCHEMBL1613652 0.79 PARP1 (0.40) ADORA3PARP1PLATALDH1A1HPGD
SCHEMBL1614874 0.79 KCNQ3 (0.38) KCNQ3KCNQ2PLAT
SCHEMBL1614734 0.78 MAPK14 (0.40) ADORA3PARP1ALDH1A1HPGDKDM4E
SCHEMBL1614313 0.76 PIM1 (0.44) ADORA3ALDH1A1HPGDKDM4ERAB9A
SCHEMBL1613643 0.76 KDM4E (0.41) KCNQ3KCNQ2ADORA3PARP1PLAT

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.