SCHEMBL1279412

SCHEMBL1279412

O=c1cc(N2CCNCC2)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAT P00750 3/20 0.46
ARF6 P62330 7/20 0.44
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
ITGA2B P08514 4/20 0.38
ADRB2 P07550 1/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TYK2 P29597 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL1649478 0.84 KCNQ3 (0.40) PLATARF6KDM4EITGA2BADRB2
SCHEMBL1613450 0.83 PLAT (0.43) PLATITGA2BGAA
SCHEMBL1286604 0.79 ARF6 (0.47) PLATARF6KDM4EPOLBALPL
SCHEMBL1279157 0.79 ARF6 (0.47) PLATARF6KDM4EPOLBALPL
SCHEMBL20819113 0.78 POLB (0.51) PLATARF6KDM4EPOLBALPL
SCHEMBL1279027 0.76 POLB (0.46) PLATARF6KDM4EPOLBALPL
SCHEMBL1278667 0.75 ARF6 (0.44) PLATARF6KDM4EPOLBALPL
SCHEMBL1278904 0.75 POLB (0.45) PLATARF6KDM4EPOLBALPL
SCHEMBL1278756 0.75 ARF6 (0.47) PLATARF6KDM4EPOLBALPL
SCHEMBL1286616 0.75 ARF6 (0.42) PLATARF6KDM4EPOLBALPL

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 PLAT 1286/4885ARF6 3851/4885KDM4E 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.