SCHEMBL14684660

SCHEMBL14684660

[N-]=[N+]=N[C@]1(c2ccc3c(N)ncnn23)CC[C@@H](CO)O1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ POLRMT O00411 1/20 0.41
▸ TMPRSS2 O15393 1/20 0.30
▸ ACVRL1 P37023 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
SCHEMBL14052073 0.82 POLRMT (0.38) POLRMT
SCHEMBL23047661 0.80 ACVRL1 (0.32) POLRMTTMPRSS2ACVRL1
SCHEMBL807536 0.80 ACVRL1 (0.32) POLRMTTMPRSS2ACVRL1
SCHEMBL18666834 0.80 ACVRL1 (0.32) POLRMTTMPRSS2ACVRL1
SCHEMBL18666907 0.77 TMPRSS2 (0.36) TMPRSS2ACVRL1
SCHEMBL4970753 0.77 TMPRSS2 (0.36) TMPRSS2ACVRL1
SCHEMBL10142076 0.77 TMPRSS2 (0.36) TMPRSS2ACVRL1
SCHEMBL13532025 0.76 POLRMT (0.45) POLRMTTMPRSS2
SCHEMBL24789410 0.76 RIPK1 (0.32) TMPRSS2ACVRL1
SCHEMBL13667821 0.74 POLRMT (0.43) POLRMTTMPRSS2

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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 POLRMT 263/4885TMPRSS2 1945/4885ACVRL1 2112/4885

“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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