SCHEMBL21311196

SCHEMBL21311196

Cc1ccc2c(c1)c1ccccc1n2CCNCC1OCC(O)(n2cnc3c(N)ncnc32)C1O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.34
▸ NNMT P40261 1/20 0.34
▸ PNMT P11086 6/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ GMPS P49915 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SLC28A1 O00337 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AHCY P23526 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32

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
SCHEMBL20097182 0.95 GMPS (0.35) DOT1LNNMTPNMTADORA2AGMPS
SCHEMBL21311199 0.95 GMPS (0.35) DOT1LNNMTPNMTADORA2AGMPS
SCHEMBL21311192 0.93 DOT1L (0.37) DOT1LPNMTADORA2AGMPSADORA3
SCHEMBL21311401 0.90 DOT1L (0.36) DOT1LADORA2AGMPSADORA3SLC28A1
SCHEMBL21311211 0.88 PNMT (0.36) DOT1LNNMTPNMTADORA2AGMPS
SCHEMBL21311205 0.88 GMPS (0.33) DOT1LADORA2AGMPSADORA3SLC28A1
SCHEMBL21311200 0.87 NNMT (0.34) NNMTPNMTADORA2AGMPSADORA3
SCHEMBL21311209 0.86 DOT1L (0.38) DOT1LPNMTGMPS
SCHEMBL21311212 0.85 DOT1L (0.35) DOT1LNNMTPNMTADORA2AGMPS
SCHEMBL21311390 0.85 DOT1L (0.34) DOT1LNNMTPNMTADORA2AGMPS

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 DOT1L 2274/4885NNMT 865/4885PNMT 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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