SCHEMBL20202019

SCHEMBL20202019

CC(C)(C)OC(=O)NCCOCCOCCOCCNCc1c[nH]c2nc(N)[nH]c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.41
TYMS P04818 3/20 0.39
TLR7 Q9NYK1 3/20 0.38
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
IL6 P05231 2/20 0.37

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
SCHEMBL21324597 1.00 PNP (0.41) PNPTYMSTLR7ADRB2HTR1A
SCHEMBL24700868 0.87 PNP (0.47) PNPTYMS
SCHEMBL20206648 0.87 TLR7 (0.38) PNPTLR7ADRB2HTR1AIL6
SCHEMBL20206776 0.87 TLR7 (0.38) PNPTLR7ADRB2HTR1AIL6
SCHEMBL21325130 0.80 PNP (0.39) PNPTYMS
SCHEMBL21324598 0.80 PNP (0.39) PNPTYMS
SCHEMBL24701146 0.80 PNP (0.42) PNPTYMS
SCHEMBL19929245 0.74 PNP (0.48) PNPTYMS
SCHEMBL17662614 0.73 PNP (0.46) PNPTYMS
Hydrochloric Acid SCHEMBL19253833 0.72 PNP (0.46) PNPTYMS

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 41/4885TYMS 172/4885TLR7 4216/4885

“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.