SCHEMBL22337062

SCHEMBL22337062

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O[Si](C)(C)C(C)(C)C)C1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.49
▸ NT5E P21589 1/20 0.45
▸ P2RY12 Q9H244 3/20 0.43
▸ AHCY P23526 3/20 0.42
▸ P2RY2 P41231 2/20 0.42
▸ P2RY1 P47900 1/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42
▸ GNMT Q14749 1/20 0.41
▸ AMD1 P17707 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41

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
SCHEMBL22337055 1.00 ADORA1 (0.49) ADORA1NT5EP2RY12AHCYP2RY2
SCHEMBL26808538 0.92 ADORA1 (0.49) ADORA1NT5EP2RY12AHCYP2RY2
SCHEMBL22337041 0.84 HINT1 (0.39) ADORA1NT5E
SCHEMBL22337324 0.84 HINT1 (0.39) ADORA1NT5E
SCHEMBL22337175 0.84 HINT1 (0.49) NT5E
SCHEMBL21859151 0.83 ADORA1 (0.50) ADORA1AHCYP2RY2P2RY1AMD1
SCHEMBL21859282 0.83 ADORA1 (0.50) ADORA1AHCYP2RY2P2RY1AMD1
SCHEMBL30867101 0.83 ADORA1 (0.50) ADORA1AHCYP2RY2P2RY1AMD1
SCHEMBL22220143 0.83 ADORA1 (0.50) ADORA1AHCYP2RY2P2RY1AMD1
SCHEMBL6762689 0.83 ADORA1 (0.50) ADORA1AHCYP2RY2P2RY1AMD1

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-20230357306-A1 SYNTHESIS OF 1,2,5-TRI-O-BENZOYL-3-DIBENZYLAMINO-3-DEOXYRIBOSE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF BRISTOL MYERS SQUIBB CO (US) 2023-11-09 — — US disclosed
WO-2020163415-A1 SYNTHESIS OF 1,2,5-TRI-0-BENZ0YL-3-DIBENZYLAMIN0-3-DE0XYRIB0SE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-13 — — 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 (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-20230357306-A1 SYNTHESIS OF 1,2,5-TRI-O-BENZOYL-3-DIBENZYLAMINO-3-DEOXYRIBOSE AS INTERMEDIATE FOR PRODUCING 3'-AMINO-3'-DEOXYADENOSINE AND 3'-AMINO-3'-DEOXYGUANOSINE AND THE PROTECTED DERIVATIVES THEREOF STING1, CGAS, AMPD3 ADORA1 69/4885NT5E 56/4885P2RY12 176/4885

“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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