SCHEMBL13532219

SCHEMBL13532219

C[C@H]1C[C@@H](CO)O[C@H]1c1ccc2c(N)ncnn12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 5/20 0.37
▸ POLRMT O00411 1/20 0.36
▸ MAP4K4 O95819 1/20 0.34
▸ ACVRL1 P37023 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ SRC P12931 4/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL20058766 1.00 DOT1L (0.37) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL13696066 1.00 DOT1L (0.37) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL14642742 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL10154352 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL21120506 0.87 POLRMT (0.39) DOT1LPOLRMTMAP4K4ACVRL1STING1
SCHEMBL12388340 0.83 EGFR (0.31) —
SCHEMBL25915354 0.82 DOT1L (0.36) DOT1LPOLRMTSTING1RIPK1
SCHEMBL24791068 0.82 POLRMT (0.35) DOT1LPOLRMTSTING1RIPK1
SCHEMBL14642541 0.81 — —
SCHEMBL9912317 0.81 DOT1L (0.35) DOT1LPOLRMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709613-B1 METHODS FOR TREATING HCV GILEAD PHARMASSET LLC (US) 2017-11-29 — — EP disclosed
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-01-17 — — US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — 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 (2 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-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS TYMP, SAMHD1, TYMS DOT1L 2852/4885POLRMT 62/4885MAP4K4 1849/4885
US-20130018013-A1 BICYCLIC NUCLEOSIDES AND NUCLEOTIDES AS THERAPEUTIC AGENTS NTPCR, PNP, DCTD DOT1L 3212/4885POLRMT 54/4885MAP4K4 2613/4885

“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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