SCHEMBL15633489

SCHEMBL15633489

CCCCCCCCNC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)CO[C@H](CO)Cn2cnc3c(N)ncnc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.51
▸ CYP2D6 P10635 13/20 0.51
▸ FGFR1 P11362 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL15633881 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1ALDH1A1
SCHEMBL15633919 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1ALDH1A1
SCHEMBL15633560 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1ALDH1A1
SCHEMBL15634070 1.00 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1ALDH1A1
SCHEMBL21318454 0.97 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1
SCHEMBL21318447 0.96 CYP3A4 (0.54) CYP3A4CYP2D6FGFR1
SCHEMBL21318448 0.96 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1
SCHEMBL21318428 0.96 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1
SCHEMBL2547442 0.89 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL15633920 0.88 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1ALDH1A1

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-9550803-B2 Method to improve antiviral activity of nucleotide analogue drugs UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2017-01-24 — — US disclosed
US-20140100186-A1 METHOD TO IMPROVE ANTIVIRAL ACTIVITY OF NUCLEOTIDE ANALOGUE DRUGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-10 — — 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-20140100186-A1 METHOD TO IMPROVE ANTIVIRAL ACTIVITY OF NUCLEOTIDE ANALOGUE DRUGS PNP, TYMP, ADAR CYP3A4 3806/4885CYP2D6 3470/4885FGFR1 3452/4885

“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.

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