SCHEMBL26412812

SCHEMBL26412812

C[C@H]1[C@@H](OCc2ccccc2)[C@](C)(c2ccc3c(N)ncnn23)O[C@@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 3/20 0.35
▸ RIPK1 Q13546 5/20 0.33
▸ ADORA2A P29274 2/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ DOT1L Q8TEK3 1/20 0.31
▸ ADORA3 P0DMS8 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
SCHEMBL10120857 0.92 TNK2 (0.33) TNK2RIPK1
SCHEMBL23065601 0.91 TNK2 (0.35) TNK2RIPK1ADORA2AADORA2BDOT1L
SCHEMBL18636443 0.83 PDE2A (0.37) TNK2
SCHEMBL12393257 0.83 PDE2A (0.37) TNK2
SCHEMBL17719386 0.82 TNK2 (0.35) TNK2RIPK1
SCHEMBL10120838 0.82 TNK2 (0.35) TNK2RIPK1
SCHEMBL18371662 0.82 TNK2 (0.35) TNK2RIPK1
SCHEMBL10120675 0.82 TNK2 (0.35) TNK2RIPK1
SCHEMBL14038975 0.82 TNK2 (0.34) TNK2RIPK1
SCHEMBL13532037 0.80 TNK2 (0.33) TNK2RIPK1

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-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS GILEAD SCIENCES, INC. 2023-04-27 — — 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-20230125751-A1 METHODS AND COMPOUNDS FOR TREATING PARAMYXOVIRIDAE VIRUS INFECTIONS PNP, RPIA, HPRT1 TNK2 3193/4885RIPK1 1061/4885ADORA2A 280/4885

“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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