SCHEMBL23618698

SCHEMBL23618698

Cc1ncnc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.47
▸ ADORA3 P0DMS8 2/20 0.35
▸ ADORA1 P30542 2/20 0.35
▸ TSHR P16473 2/20 0.35
▸ PMP22 Q01453 2/20 0.35
▸ ADORA2A P29274 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ OGA O60502 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17612664 0.85 ADK (0.53) ADKADORA3ADORA1ADORA2AADORA2B
SCHEMBL22458320 0.80 ADK (0.37) ADK
SCHEMBL17612654 0.78 ADK (0.53) ADKADORA3ADORA1ADORA2AADORA2B
SCHEMBL17612655 0.78 ADK (0.53) ADKADORA3ADORA1ADORA2AADORA2B
SCHEMBL23618696 0.77 ADK (0.38) ADKADORA3
SCHEMBL12870457 0.76 ADK (0.82) ADKHTTKMT2A
SCHEMBL12870452 0.76 ADK (0.82) ADKHTTKMT2A
SCHEMBL4863668 0.76 ADK (0.82) ADKHTTKMT2A
SCHEMBL14028811 0.76 ADK (0.68) ADKADORA3ADORA1ADORA2AADORA2B
SCHEMBL4867832 0.76 ADK (0.68) ADKADORA3ADORA1ADORA2AADORA2B

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-20210205348-A1 Methods for the Treatment of Bladder Cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-07-08 — — 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-20210205348-A1 Methods for the Treatment of Bladder Cancer UNG, FOLH1, MGMT ADK 4749/4885ADORA3 4292/4885ADORA1 4686/4885

“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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