SCHEMBL20202013

SCHEMBL20202013

CCNCc1c[nH]c2[nH]c(N)nc(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNP P00491 3/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BACE1 P56817 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
SCHEMBL20202023 0.86 BACE1 (0.36) PNPBACE1
SCHEMBL20202010 0.85 PNP (0.36) PNP
SCHEMBL20202014 0.85 PNP (0.37) PNP
SCHEMBL20206756 0.82 PNP (0.39) PNP
SCHEMBL20206646 0.82 PNP (0.36) PNP
SCHEMBL20202020 0.81 PNP (0.38) PNPKDM4E
SCHEMBL20206657 0.80 PNP (0.35) PNP
SCHEMBL20202017 0.79 PNP (0.38) PNP
SCHEMBL20206650 0.77 PNP (0.36) PNP
SCHEMBL20202021 0.77 PNP (0.36) PNP

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-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 US disclosed
US-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-05-31 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-20180148764-A1 ENZYMATIC MODIFICATION OF NUCLEIC ACIDS RNGTT, UNG, RNASEL PNP 41/4885KDM4E 1769/4885ALDH1A1 254/4885

“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.