SCHEMBL18776432

SCHEMBL18776432

[2H]CC1OC(n2cnc3c(NC(=O)COc4ccccc4)ncnc32)C(OC)C1OP(OCCC#C)N(C(C)C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 13/20 0.40
▸ ADORA2B P29275 13/20 0.40
▸ ADORA1 P30542 12/20 0.40
▸ P2RY12 Q9H244 2/20 0.35
▸ ADORA2A P29274 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
SCHEMBL18776426 0.91 ADORA3 (0.43) ADORA3ADORA2BADORA1P2RY12
SCHEMBL18776436 0.91 ADORA3 (0.40) ADORA3ADORA2BADORA1ADORA2A
SCHEMBL18776424 0.89 ADORA3 (0.42) ADORA3ADORA2BADORA1ADORA2A
SCHEMBL18776403 0.86 ADORA3 (0.37) ADORA3ADORA2BADORA1
SCHEMBL18073818 0.85 ADORA3 (0.36) ADORA3ADORA2BADORA1P2RY12
SCHEMBL18787574 0.85 TYMP (0.42) ADORA3ADORA2BADORA1P2RY12
SCHEMBL18073819 0.84 ADORA3 (0.35) ADORA3ADORA2BADORA1
SCHEMBL18776429 0.82 ADORA3 (0.31) ADORA3
SCHEMBL18965490 0.81 ADORA3 (0.41) ADORA3ADORA2BADORA1P2RY12ADORA2A
SCHEMBL18776405 0.80 ADORA3 (0.52) ADORA3ADORA2BADORA1P2RY12

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-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS BRADSHAW CURT W (US) 2017-04-27 — — 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-20170114341-A1 POLYNUCLEOTIDE CONSTRUCTS HAVING BIOREVERSIBLE AND NON-BIOREVERSIBLE GROUPS HNRNPC, RNASE1, NSUN3 ADORA3 3873/4885ADORA2B 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.

Send feedback