SCHEMBL1614259

SCHEMBL1614259

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
KCNQ3 O43525 3/20 0.37
KCNQ2 O43526 3/20 0.37
TYMP P19971 1/20 0.36
PLAT P00750 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PSD A5PKW4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
FPR1 P21462 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL1614119 0.86 DHFR (0.40) DHFRKCNQ3KCNQ2TYMPPLAT
SCHEMBL1279353 0.85 KCNQ3 (0.43) KCNQ3KCNQ2TYMPHTR2AHTR2C
SCHEMBL1614570 0.82 ADORA2A (0.40) DHFRKCNQ3KCNQ2HTR2AHTR2C
SCHEMBL1614638 0.82 KCNQ3 (0.43) DHFRKCNQ3KCNQ2TYMPPLAT
SCHEMBL1614820 0.81 KCNQ3 (0.42) DHFRKCNQ3KCNQ2TYMPPLAT
SCHEMBL1614110 0.81 KCNQ3 (0.45) DHFRKCNQ3KCNQ2TYMPPLAT
SCHEMBL1614238 0.78 KCNQ3 (0.38) DHFRKCNQ3KCNQ2TYMPPLAT
SCHEMBL1614156 0.78 KMT2A (0.39) TYMPHTR2AHTR2CPSDMEN1
SCHEMBL1614832 0.78 PLAT (0.43) PLATHTR2AHTR2CKDM4ECYP1A2
SCHEMBL1613592 0.77 KDM4E (0.43) PLATMEN1KMT2AKDM4ECYP1A2

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 DHFR 212/4885KCNQ3 12/4885KCNQ2 9/4885

“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.