SCHEMBL20691314

SCHEMBL20691314

COC(=O)c1cccc2c1nnn2[C@@H]1C[C@H](COP(=S)(OCCC#N)O[C@H]2[C@@H](F)[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O[C@@H]2CO)[C@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 7/20 0.36
▸ DNPH1 O43598 2/20 0.35
▸ ADORA1 P30542 2/20 0.34
▸ P2RY2 P41231 1/20 0.34
▸ P2RY1 P47900 1/20 0.34
▸ P2RY6 Q15077 1/20 0.34
▸ GAPDH P04406 2/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL20691946 0.90 P2RY12 (0.34) P2RY12DNPH1ADORA1P2RY2P2RY1
SCHEMBL25688857 0.90 P2RY12 (0.38) P2RY12DNPH1ADORA1P2RY2P2RY1
SCHEMBL25688845 0.88 P2RY12 (0.36) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL20691457 0.87 DNPH1 (0.32) DNPH1
SCHEMBL22219998 0.85 P2RY12 (0.35) P2RY12DNPH1ADORA1P2RY2P2RY1
SCHEMBL25693011 0.85 P2RY12 (0.34) P2RY12DNPH1P2RY2P2RY1P2RY6
SCHEMBL24321986 0.85 P2RY12 (0.37) P2RY12DNPH1ADORA1P2RY2P2RY1
SCHEMBL25688848 0.84 P2RY12 (0.40) P2RY12DNPH1ADORA1P2RY2P2RY1
SCHEMBL20691327 0.84 SLC29A1 (0.31) DNPH1
SCHEMBL25688843 0.84 P2RY12 (0.38) P2RY12DNPH1ADORA1P2RY2P2RY1

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-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 (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-20190030057-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 P2RY12 1690/4885DNPH1 2001/4885ADORA1 1903/4885

“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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