SCHEMBL21311468

SCHEMBL21311468

Nc1ncnc2c1ncn2C1(O)COC(CNCCn2cnc3ccccc32)C1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ ADCY1 Q08828 1/20 0.39
▸ PNMT P11086 6/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ ADORA3 P0DMS8 2/20 0.38
▸ BACE1 P56817 1/20 0.36
▸ DOT1L Q8TEK3 1/20 0.36
▸ GMPS P49915 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ ATM Q13315 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
SCHEMBL21311470 0.90 ADCY1 (0.39) ALDH1A1ADCY1PNMTADORA2AADORA3
SCHEMBL21311192 0.87 DOT1L (0.37) ALDH1A1ADCY1PNMTADORA2AADORA3
SCHEMBL21311475 0.87 ADORA3 (0.39) PNMTADORA2AADORA3DOT1LGMPS
SCHEMBL21311474 0.84 PNMT (0.36) PNMTADORA2AADORA3DOT1LGMPS
SCHEMBL21311390 0.83 DOT1L (0.34) ALDH1A1PNMTADORA2AADORA3DOT1L
SCHEMBL21311211 0.81 PNMT (0.36) PNMTADORA2AADORA3DOT1LGMPS
SCHEMBL21311212 0.81 DOT1L (0.35) PNMTADORA2AADORA3DOT1LGMPS
SCHEMBL20097182 0.81 GMPS (0.35) ALDH1A1PNMTADORA2AADORA3DOT1L
SCHEMBL21311196 0.81 DOT1L (0.34) ALDH1A1PNMTADORA2AADORA3DOT1L
SCHEMBL21311388 0.79 DOT1L (0.41) ADORA2AADORA3DOT1LGMPSSLC28A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 — — 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 ALDH1A1 3845/4885ADCY1 4671/4885PNMT 2859/4885

“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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