SCHEMBL20691331

SCHEMBL20691331

N#CCCOP(=S)(OC[C@H]1C[C@@H](n2cnc3c(Cl)ncnc32)[C@@H]1CO)O[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 5/20 0.38
▸ P2RY2 P41231 1/20 0.36
▸ P2RY1 P47900 1/20 0.36
▸ P2RY6 Q15077 1/20 0.36
▸ ADORA1 P30542 3/20 0.36
▸ DNPH1 O43598 2/20 0.35
▸ POLB P06746 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
SCHEMBL20691312 0.92 TYMP (0.39) P2RY12P2RY2P2RY1P2RY6ADORA1
SCHEMBL20691938 0.86 HIF1A (0.33) P2RY1POLB
SCHEMBL20691946 0.85 P2RY12 (0.34) P2RY12P2RY2P2RY1P2RY6ADORA1
SCHEMBL22349203 0.85 STING1 (0.38) POLB
SCHEMBL17860588 0.81 ADORA1 (0.40) P2RY12P2RY2P2RY1P2RY6ADORA1
SCHEMBL11055621 0.80 P2RY12 (0.40) P2RY12ADORA1POLB
SCHEMBL4727404 0.80 ADORA1 (0.46) ADORA1POLB
SCHEMBL4727394 0.80 ADORA1 (0.46) ADORA1POLB
SCHEMBL22858497 0.79 P2RY12 (0.35) P2RY12P2RY1ADORA1POLB
SCHEMBL22858508 0.77 P2RY12 (0.34) P2RY12P2RY1ADORA1POLB

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-10744150-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-18 — — US disclosed
US-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2019-01-31 — — 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-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 P2RY12 1690/4885P2RY2 1259/4885P2RY1 1124/4885
US-10744150-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 P2RY12 1690/4885P2RY2 1259/4885P2RY1 1124/4885

“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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