SCHEMBL22787289

SCHEMBL22787289

C=CCCOP(OC1C(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)OC(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)C1OC)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 5/20 0.42
▸ ADORA2B P29275 7/20 0.38
▸ ADORA1 P30542 7/20 0.38
▸ ADORA3 P0DMS8 6/20 0.38
▸ PRKAG1 P54619 1/20 0.36
▸ PRKAA1 Q13131 1/20 0.36
▸ PRKAB1 Q9Y478 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ DOT1L Q8TEK3 1/20 0.35
▸ P2RY12 Q9H244 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
SCHEMBL3727493 0.91 TYMP (0.42) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL18787574 0.91 TYMP (0.42) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL10049741 0.90 TYMP (0.41) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL10049738 0.90 TYMP (0.38) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL10049842 0.89 TYMP (0.37) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL10050040 0.88 TYMP (0.36) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL1327824 0.87 TYMP (0.40) TYMPADORA2BADORA1ADORA3PRKAG1
SCHEMBL22787252 0.85 TYMP (0.42) TYMPADORA2BADORA1ADORA3
SCHEMBL10049845 0.85 TYMP (0.38) TYMPADORA2BADORA1ADORA3DOT1L
SCHEMBL10049839 0.85 TYMP (0.37) TYMPADORA2BADORA1ADORA3PRKAG1

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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS SOLSTICE BIOLOGICS LTD (IE) 2020-12-17 — — 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-20200392498-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 TYMP 190/4885ADORA2B 4023/4885ADORA1 4609/4885

“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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