SCHEMBL20769872

SCHEMBL20769872

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](N=[N+]=[N-])[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ AHCY P23526 1/20 0.49
▸ ADORA1 P30542 5/20 0.44
▸ P2RY1 P47900 4/20 0.44
▸ P2RY2 P41231 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SRC P12931 2/20 0.44
▸ DNPH1 O43598 1/20 0.44
▸ PRKAB2 O43741 1/20 0.44
▸ TRPM2 O94759 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ ADRB2 P07550 1/20 0.44
▸ FBP1 P09467 1/20 0.44
▸ PRKAG1 P54619 1/20 0.44
▸ PRKAA2 P54646 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PRKAA1 Q13131 1/20 0.44
▸ PDE3A Q14432 1/20 0.44

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
SCHEMBL21374101 0.93 ALDH1A1 (0.56) ALDH1A1HIF1AAHCYADORA1P2RY1
SCHEMBL24465182 0.93 ALDH1A1 (0.56) ALDH1A1HIF1AAHCYADORA1P2RY1
SCHEMBL22220143 0.86 ADORA1 (0.50) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL21859151 0.86 ADORA1 (0.50) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL6762689 0.86 ADORA1 (0.50) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL21859282 0.86 ADORA1 (0.50) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL30867101 0.86 ADORA1 (0.50) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL24377429 0.84 NT5E (0.49) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL24377129 0.84 ADORA1 (0.57) AHCYADORA1P2RY1P2RY2SMN1; SMN2
SCHEMBL23046811 0.84 ADORA1 (0.48) AHCYADORA1P2RY1P2RY2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676279-B1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 — — EP disclosed
US-10953032-B2 Cyclic dinucleotides as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-23 — — US disclosed
US-20200253997-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2020-08-13 — — US disclosed
EP-3676279-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2020-07-08 — — EP disclosed
WO-2019046500-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-07 — — WO 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-20200253997-A1 CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS DPYD, NTPCR, CD38 ALDH1A1 917/4885HIF1A 1875/4885AHCY 1090/4885
US-10953032-B2 Cyclic dinucleotides as anticancer agents DPYD, NTPCR, CD38 ALDH1A1 917/4885HIF1A 1875/4885AHCY 1090/4885

“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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