SCHEMBL21263876

SCHEMBL21263876

COC(=O)c1cc([C@@H]2C[C@H](COC(C)=O)[C@H]2COP(=O)(OCCC#N)OC[C@@H]2CC[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.33
▸ P2RY12 Q9H244 7/20 0.32
▸ PRKAB2 O43741 1/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA2 P54646 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAG3 Q9UGI9 1/20 0.31
▸ PRKAG2 Q9UGJ0 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ P2RY2 P41231 1/20 0.31
▸ P2RY1 P47900 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ DNPH1 O43598 1/20 0.31
▸ GAPDH P04406 1/20 0.30

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
SCHEMBL24444139 0.82 ADORA1 (0.43) PRMT6P2RY12ADORA1P2RY2P2RY1
SCHEMBL20353076 0.77 P2RY12 (0.45) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146392 0.77 P2RY12 (0.42) PRMT6P2RY12P2RY2P2RY1P2RY6
SCHEMBL22858497 0.77 P2RY12 (0.35) P2RY12ADORA1P2RY1
SCHEMBL20026293 0.76 P2RY12 (0.43) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19145868 0.76 P2RY12 (0.40) PRMT6P2RY12P2RY2P2RY1P2RY6
SCHEMBL24444138 0.75 P2RY12 (0.44) P2RY12P2RY2P2RY1P2RY6DNPH1
SCHEMBL19146722 0.75 P2RY12 (0.42) PRMT6P2RY12P2RY2P2RY1P2RY6
SCHEMBL21376284 0.73 P2RY12 (0.40) PRMT6P2RY12ADORA1P2RY2P2RY1
SCHEMBL25293 0.73 P2RY12 (0.48) P2RY12P2RY2P2RY1P2RY6DNPH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10519187-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2019-12-31 — — US disclosed
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-08-15 — — 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-10519187-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 PRMT6 1514/4885P2RY12 1690/4885PRKAB2 875/4885
US-20190248828-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 PRMT6 1514/4885P2RY12 1690/4885PRKAB2 875/4885

“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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