SCHEMBL1615074

SCHEMBL1615074

O=c1cc(-c2cc(F)c(Cl)nc2Cl)[nH]c2c(-c3cccs3)c(-c3ccc(Cl)cc3)nn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.38
KCNQ2 O43526 3/20 0.38
MAPK14 Q16539 5/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
KCNQ1 P51787 1/20 0.34
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 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
SCHEMBL1615115 0.86 KCNQ3 (0.44) KCNQ3KCNQ2ADORA3KCNQ1MAPT
SCHEMBL1613674 0.85 KCNQ3 (0.40) KCNQ3KCNQ2MAPK14ADORA3ADORA2A
SCHEMBL1649492 0.84 KCNQ3 (0.44) KCNQ3KCNQ2MAPK14ADORA3ADORA2A
SCHEMBL1648643 0.84 KCNQ3 (0.41) KCNQ3KCNQ2MAPK14ADORA3ADORA2A
SCHEMBL1613887 0.82 KCNQ3 (0.47) KCNQ3KCNQ2ADORA3KCNQ1CYP1A2
SCHEMBL1279158 0.78 ADORA3 (0.39) KCNQ3KCNQ2MAPK14ADORA3ADORA2A
SCHEMBL15926321 0.78 MAPK14 (0.40) MAPK14ADORA3ADORA2AMAPTPOLB
SCHEMBL1614956 0.78 PLAT (0.44) KCNQ3KCNQ2ADORA3ADORA2AKCNQ1
SCHEMBL1279271 0.77 MAPK14 (0.41) MAPK14ADORA3ADORA2AMAPTPOLB
SCHEMBL1614734 0.75 MAPK14 (0.40) MAPK14ADORA3ADORA2AMAPTPOLB

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 4 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-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
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 9/4885MAPK14 2408/4885

“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.