SCHEMBL1614928

SCHEMBL1614928

Cc1nn2c(=O)cc(CNCOCc3ccc(C(F)(F)F)cc3)[nH]c2c1-c1cccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 4/20 0.36
KCNQ2 O43526 4/20 0.36
PLAT P00750 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
NTRK1 P04629 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
PDE2A O00408 2/20 0.31
TACR1 P25103 1/20 0.31
CNR1 P21554 1/20 0.31
PTGES O14684 1/20 0.31
AURKA O14965 1/20 0.31
PSD A5PKW4 1/20 0.31
AR P10275 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30

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
SCHEMBL15926314 0.91 KCNQ3 (0.36) KCNQ3KCNQ2TRPV1LMNAPOLB
SCHEMBL1613466 0.87 AR (0.40) PLATPDE2ATACR1AR
SCHEMBL1614735 0.83 PLAT (0.33) KCNQ3KCNQ2PLATPDE2AAR
SCHEMBL1614661 0.82 LMNA (0.36) KCNQ3KCNQ2LMNAPOLBAURKA
SCHEMBL15926362 0.80 AR (0.37) KCNQ3KCNQ2PLATPOLBPDE2A
SCHEMBL1613995 0.79 PDE2A (0.34) PLATLMNAPDE2A
SCHEMBL15909598 0.76 LMNA (0.43) KCNQ3KCNQ2TRPV1LMNAPOLB
SCHEMBL15926318 0.76 MAPK14 (0.32) KCNQ3KCNQ2HCAR2
SCHEMBL1614666 0.75 MAPT (0.33) KCNQ3KCNQ2HCAR2
SCHEMBL1614820 0.74 KCNQ3 (0.42) KCNQ3KCNQ2PLATPSD

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 9/4885PLAT 1286/4885

“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.