SCHEMBL14725428

SCHEMBL14725428

CNc1nc(NC)c2c(C)cn(C(C)(C)C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
HCRTR1 O43613 1/20 0.32
KMT2A Q03164 1/20 0.32
LRRK2 Q5S007 3/20 0.31
CYP1A2 P05177 2/20 0.31
HTR2C P28335 1/20 0.30
TTK P33981 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
SCHEMBL14725430 0.76 SRC (0.43)
SCHEMBL14725434 0.70 PDE4A (0.47)
SCHEMBL25768157 0.67 MAT2A (0.31)
SCHEMBL14725451 0.65 PDE4A (0.32)
SCHEMBL29588944 0.59 ADK (0.45)
SCHEMBL19304156 0.59 SRC (0.62)
SCHEMBL14725435 0.57 PDE4A (0.43)
SCHEMBL12568005 0.56 AURKA (0.44) LRRK2CYP1A2
SCHEMBL29515444 0.56 TRIM58 (0.37) CYP1A2HTR2C
SCHEMBL22281770 0.55 TRIM58 (0.34) LRRK2CYP1A2

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 MEN1 553/4885HCRTR1 2829/4885KMT2A 1131/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 MEN1 528/4885HCRTR1 2698/4885KMT2A 1140/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 MEN1 528/4885HCRTR1 2698/4885KMT2A 1140/4885

“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.