SCHEMBL774845

SCHEMBL774845

COCCN(CCOC)CCOC1C(O[PH](=O)O)[C@@H](CO)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 3/20 0.55
▸ RNMT O43148 1/20 0.55
▸ ADORA3 P0DMS8 3/20 0.52
▸ PI4KA P42356 2/20 0.52
▸ PI4K2B Q8TCG2 2/20 0.52
▸ PI4K2A Q9BTU6 2/20 0.52
▸ PI4KB Q9UBF8 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ DPP4 P27487 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ SLC28A1 O00337 1/20 0.52
▸ MAP3K7 O43318 1/20 0.52
▸ SLC28A2 O43868 1/20 0.52
▸ GAPDH P04406 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA2B P29275 1/20 0.52
▸ STAT6 P42226 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ DOT1L Q8TEK3 1/20 0.52

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
SCHEMBL16943172 1.00 ADORA1 (0.55) ADORA1RNMTADORA3PI4KAPI4K2B
SCHEMBL768267 1.00 ADORA1 (0.55) ADORA1RNMTADORA3PI4KAPI4K2B
SCHEMBL768458 0.92 ADORA1 (0.59) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL16943242 0.92 ADORA1 (0.59) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL774841 0.92 ADORA1 (0.59) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL24943280 0.88 GAA (0.58) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL24943281 0.88 GAA (0.58) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL23665576 0.87 GAA (0.64) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL25097805 0.87 ADORA1 (0.60) ADORA1ADORA3PI4KAPI4K2BPI4K2A
SCHEMBL25098311 0.87 ADORA1 (0.60) ADORA1ADORA3PI4KAPI4K2BPI4K2A

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-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS ALNYLAM PHARMACEUTICALS, INC. (US) 2012-03-22 — — 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-20120071641-A1 NUCLEIC ACID CHEMICAL MODIFICATIONS NSUN2, RNMT, NSUN3 ADORA1 436/4885RNMT 2/4885ADORA3 484/4885

“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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