SCHEMBL17943263

SCHEMBL17943263

C[C@H]1C(O)[C@@H](CO)O[C@H]1n1cc(C(=O)NCCCc2ccccc2)c(N)nc1=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 8/20 0.42
▸ ADORA2A P29274 8/20 0.41
▸ ADORA3 P0DMS8 6/20 0.41
▸ ADORA2B P29275 4/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17943275 0.95 LGALS9 (0.44) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL17943280 0.90 ADORA2A (0.44) ADORA1ADORA2AADORA3HPGDSMN1; SMN2
SCHEMBL27093274 0.89 ADORA2A (0.41) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL20219708 0.89 HPGD (0.38) ADORA1HPGDSMN1; SMN2
SCHEMBL20219940 0.87 SMN1; SMN2 (0.37) ADORA1HPGDSMN1; SMN2
SCHEMBL17943264 0.86 ADORA2A (0.43) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL17943276 0.84 ADORA2A (0.43) ADORA2AADORA2B
SCHEMBL27093440 0.84 LGALS9 (0.42) ADORA1ADORA2AADORA3ADORA2B
SCHEMBL17943262 0.82 SLC28A2 (0.44) ADORA1ADORA2AADORA3ADORA2BHPGD
SCHEMBL28076665 0.82 DNMT1 (0.52) ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201641-A1 Cytidine-5-Carboxamide Modified Nucleotide Compositions and Methods Related Thereto SOMALOGIC OPERATING CO. INC. 2018-07-19 — — US disclosed
US-9938314-B2 Cytidine-5-carboxamide modified nucleotide compositions and methods related thereto SOMALOGIC, INC. (US) 2018-04-10 — — US disclosed
US-20160348112-A1 Compositions and Methods for Detecting Microorganisms SOMALOGIC OPERATING CO. INC. 2016-12-01 — — US disclosed
US-20160215013-A1 Cytidine-5-Carboxamide Modified Nucleotide Compositions and Methods Related Thereto SOMALOGIC OPERATING CO. INC. 2016-07-28 — — 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 (2 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-20180201641-A1 Cytidine-5-Carboxamide Modified Nucleotide Compositions and Methods Related Thereto NT5C3B, CDA, RNGTT ADORA1 66/4885ADORA2A 61/4885ADORA3 54/4885
US-20160215013-A1 Cytidine-5-Carboxamide Modified Nucleotide Compositions and Methods Related Thereto NT5C3B, CDA, RNGTT ADORA1 66/4885ADORA2A 61/4885ADORA3 54/4885

“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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