SCHEMBL18875014

SCHEMBL18875014

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nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.38
▸ CDA P32320 8/20 0.34
▸ ADA P00813 1/20 0.34
▸ ADORA3 P0DMS8 4/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL14583693 1.00 ADORA2A (0.38) ADORA2ACDAADAADORA3ADORA2B
SCHEMBL15187536 1.00 ADORA2A (0.38) ADORA2ACDAADAADORA3ADORA2B
SCHEMBL16125739 0.88 CDA (0.31) CDA
SCHEMBL18593480 0.86 CDA (0.34) CDA
SCHEMBL20427403 0.86 CDA (0.39) CDA
SCHEMBL16381996 0.86 CDA (0.39) CDA
SCHEMBL15702140 0.86 CDA (0.34) ADORA2ACDAADA
SCHEMBL17463520 0.84 P2RY2 (0.31) —
SCHEMBL14946019 0.84 P2RY2 (0.31) —
SCHEMBL18118109 0.84 P2RY2 (0.31) —

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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Biopharma, Inc. 2017-05-25 — — 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-20170143749-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NT5C3B, TYMP ADORA2A 78/4885CDA 41/4885ADA 13/4885

“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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