SCHEMBL14725451

SCHEMBL14725451

CNc1nc(NC)c2nc(C)n(C(C)(C)C)c2n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CDK9 P50750 1/20 0.30
DYRK1A Q13627 1/20 0.30
DYRK2 Q92630 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
SCHEMBL14725453 0.75 YTHDC1 (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL14725434 0.69 PDE4A (0.47) PDE4APDE4BPDE4CPDE4D
SCHEMBL14725449 0.67 PDE2A (0.36)
SCHEMBL29515444 0.66 TRIM58 (0.37) PDE4APDE4BPDE4CPDE4D
SCHEMBL14725428 0.65 MEN1 (0.32)
SCHEMBL6814751 0.60 TRIM58 (0.31)
SCHEMBL8744681 0.59 CDK9 (0.32) CDK9DYRK1ADYRK2
SCHEMBL22521611 0.58 PI4KA (0.53)
SCHEMBL20164348 0.58 IDH2 (0.40) CDK9
SCHEMBL20164707 0.58 LRRK2 (0.36) PDE4ACDK9

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 PDE4A 3742/4885PDE4B 3593/4885PDE4C 3377/4885
US-20170107513-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 PDE4A 3747/4885PDE4B 3490/4885PDE4C 3394/4885
US-20160101189-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) FANCI, PCNA, DNMT1 PDE4A 3747/4885PDE4B 3490/4885PDE4C 3394/4885

“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.