SCHEMBL21311397

SCHEMBL21311397

COC(=O)CNCC1OCC(OCc2ccccc2)(n2cnc3c(N)ncnc32)C1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 7/20 0.43
▸ AHCY P23526 3/20 0.39
▸ CARM1 Q86X55 2/20 0.37
▸ HSPA5 P11021 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ NT5E P21589 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL21311392 0.93 DOT1L (0.45) DOT1LAHCYCARM1ADORA2API4KA
SCHEMBL21311156 0.85 ADORA2A (0.40) DOT1LAHCYHSPA5ADORA2API4KA
SCHEMBL21311157 0.84 PI4KA (0.41) DOT1LAHCYCARM1ADORA2API4KA
SCHEMBL21311391 0.84 ADORA2A (0.43) DOT1LAHCYCARM1HSPA5ADORA2A
SCHEMBL21311158 0.76 HTT (0.41) DOT1LADORA2API4KAPI4K2BPI4K2A
SCHEMBL20096666 0.76 DOT1L (0.56) DOT1LAHCYCARM1NT5E
SCHEMBL26828674 0.69 ADORA3 (0.49) DOT1LAHCYHSPA5ADORA2API4KA
SCHEMBL20097216 0.68 DOT1L (0.58) DOT1LAHCYCARM1NT5E
SCHEMBL21311195 0.67 EGFR (0.44) DOT1LAHCYCARM1EGFR
SCHEMBL24855829 0.66 ADORA3 (0.47) DOT1LAHCYADORA2API4KAPI4K2B

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 2274/4885AHCY 1888/4885CARM1 1830/4885

“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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