SCHEMBL14725446

SCHEMBL14725446

CNc1nc2c(c(C)cn2C(C)(C)C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
MTOR P42345 1/20 0.33
RICTOR Q6R327 1/20 0.33
RPTOR Q8N122 1/20 0.33
MAPKAP1 Q9BPZ7 1/20 0.33
MLST8 Q9BVC4 1/20 0.33
TYMS P04818 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PARP1 P09874 1/20 0.32
PDE9A O76083 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
PSMD14 O00487 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
XDH P47989 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
SCHEMBL12820948 0.84 PDE2A (0.41) PDE2AMTORRICTORRPTORMAPKAP1
SCHEMBL12820956 0.77 PDE2A (0.41) PDE2AMTORRICTORRPTORMAPKAP1
SCHEMBL14725444 0.72 PI4KA (0.39) PDE2AMEN1TSHRKMT2AXDH
SCHEMBL26349041 0.71 PDE9A (0.34) PDE2AALDH1A1PARP1PDE9AKDM4E
SCHEMBL14725428 0.69 MEN1 (0.32) MEN1KMT2A
SCHEMBL25467968 0.68 CDK4 (0.37) TYMSPARP1
SCHEMBL14725449 0.68 PDE2A (0.36) PDE2ATYMSALDH1A1HPGD
SCHEMBL26348852 0.67 KDM4E (0.46) PDE2AALDH1A1PDE9AKDM4EMEN1
SCHEMBL27407446 0.66 SRC (0.32)
SCHEMBL24905821 0.65 PDE2A (0.41) PDE2AMTORRICTORRPTORMAPKAP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2017-04-20 US disclosed
US-9566340-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2017-02-14 US disclosed
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) BANK OF AMERICA, N.A. 2016-04-14 US disclosed
US-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 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 (3 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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA PDE2A 4619/4885MTOR 3083/4885RICTOR 2081/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 PDE2A 4600/4885MTOR 3280/4885RICTOR 2302/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 PDE2A 4600/4885MTOR 3280/4885RICTOR 2302/4885

“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.