SCHEMBL17612674

SCHEMBL17612674

Cc1c(N)ncnc1N[C@@H]1O[C@H](CF)[C@@H](O)[C@H]1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 2/20 0.52
▸ ADORA1 P30542 2/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ AMD1 P17707 2/20 0.36
▸ OGA O60502 1/20 0.35
▸ HSPA5 P11021 1/20 0.33
▸ HSPA8 P11142 1/20 0.33
▸ NADK O95544 1/20 0.33
▸ AHCY P23526 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL17612669 0.88 ADK (0.65) ADKADORA1ADORA3ADORA2AHSPA5
SCHEMBL17612652 0.88 ADK (0.65) ADKADORA1ADORA3ADORA2AHSPA5
SCHEMBL17612673 0.88 ADK (0.65) ADKADORA1ADORA3ADORA2AHSPA5
SCHEMBL17612666 0.88 ADK (0.53) ADKADORA1AMD1
SCHEMBL17612655 0.82 ADK (0.53) ADKADORA1ADORA3ADORA2AHSPA5
SCHEMBL17612654 0.82 ADK (0.53) ADKADORA1ADORA3ADORA2AHSPA5
SCHEMBL17612653 0.81 ADK (0.44) ADKHSPA8
SCHEMBL17612661 0.81 AHCY (0.49) ADKNADKAHCY
SCHEMBL17612662 0.80 FBP1 (0.50) ADKADORA1
SCHEMBL17612664 0.80 ADK (0.53) ADKADORA1ADORA3ADORA2AHSPA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 — — US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 — — 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-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT ADK 3595/4885ADORA1 4716/4885ADORA3 4564/4885

“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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