SCHEMBL21311474

SCHEMBL21311474

Nc1ncnc2c1ncn2C1(O)COC(CNCCn2ncc3ccccc32)C1O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 7/20 0.36
▸ DOT1L Q8TEK3 1/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ GMPS P49915 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ AHCY P23526 1/20 0.33

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
SCHEMBL21311192 0.86 DOT1L (0.37) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311475 0.86 ADORA3 (0.39) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311390 0.84 DOT1L (0.34) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311468 0.84 ALDH1A1 (0.39) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311196 0.80 DOT1L (0.34) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311211 0.80 PNMT (0.36) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL20097182 0.80 GMPS (0.35) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311212 0.80 DOT1L (0.35) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311471 0.79 ADORA2A (0.33) PNMTDOT1LADORA2AGMPSADORA3
SCHEMBL21311470 0.79 ADCY1 (0.39) PNMTADORA2AGMPSADORA3SLC28A1

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 PNMT 2859/4885DOT1L 2274/4885ADORA2A 2943/4885

“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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