SCHEMBL1286604

SCHEMBL1286604

O=c1cc(-c2ccccc2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARF6 P62330 6/20 0.47
POLB P06746 4/20 0.46
KDM4E B2RXH2 3/20 0.46
PLAT P00750 1/20 0.43
KCNQ3 O43525 4/20 0.41
KCNQ2 O43526 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
JAK2 O60674 1/20 0.41
GLA P06280 1/20 0.41
TYK2 P29597 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL1278782 0.93 ARF6 (0.58) ARF6POLBKDM4EPLATKCNQ3
SCHEMBL1279279 0.90 MAPT (0.50) ARF6POLBKDM4EKCNQ3KCNQ2
SCHEMBL16103044 0.90 MAPT (0.50) ARF6POLBKDM4EKCNQ3KCNQ2
SCHEMBL19084688 0.89 PSD (0.51) ARF6PLATKCNQ3KCNQ2ALDH1A1
SCHEMBL19084538 0.87 ARF6 (0.58) ARF6KDM4EPLATKCNQ3KCNQ2
SCHEMBL1279264 0.87 ARF6 (0.45) ARF6POLBKDM4EPLATKCNQ3
SCHEMBL1279157 0.87 ARF6 (0.47) ARF6POLBKDM4EPLATKCNQ3
SCHEMBL1278980 0.86 ALDH1A1 (0.43) ARF6POLBKDM4EKCNQ3KCNQ2
SCHEMBL1278581 0.86 KCNQ3 (0.52) ARF6POLBKCNQ3KCNQ2GAA
SCHEMBL1278999 0.86 PARP1 (0.41) ARF6POLBKDM4EPLATKCNQ3

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 ARF6 3851/4885POLB 2845/4885KDM4E 1364/4885

“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.