SCHEMBL21311197

SCHEMBL21311197

COc1cccc2c1c1ccc(C(F)(F)F)cc1n2CCNCC1OCC(O)(n2cnc3c(N)ncnc32)C1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ NNMT P40261 1/20 0.32
▸ NSD2 O96028 1/20 0.32
▸ NSD3 Q9BZ95 1/20 0.32
▸ LCK P06239 2/20 0.32
▸ CHKA P35790 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL20096951 0.92 DOT1L (0.36) DOT1LRIPK1NNMTNSD2NSD3
SCHEMBL21311198 0.91 NNMT (0.34) DOT1LNNMTCHKA
SCHEMBL21311204 0.90 DOT1L (0.34) DOT1LNNMTCHKA
SCHEMBL21311209 0.89 DOT1L (0.38) DOT1LNSD2NSD3
SCHEMBL21311203 0.87 DOT1L (0.38) DOT1LNSD2NSD3
SCHEMBL21311401 0.85 DOT1L (0.36) DOT1LNSD2NSD3
SCHEMBL20097025 0.83 DOT1L (0.53) DOT1LNNMT
SCHEMBL21311200 0.83 NNMT (0.34) NNMT
SCHEMBL21311211 0.81 PNMT (0.36) DOT1LNNMT
SCHEMBL21311205 0.81 GMPS (0.33) DOT1L

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 2274/4885RIPK1 2808/4885NNMT 865/4885

“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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