SCHEMBL22337045

SCHEMBL22337045

Nc1nc(Cl)c2ncn([C@@H]3O[C@H](COC(=O)c4ccccc4)C(N(Cc4ccccc4)Cc4ccccc4)C3OC(=O)c3ccccc3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
P2RX3 P56373 2/20 0.44
P2RX4 Q99571 2/20 0.44
P2RX2 Q9UBL9 2/20 0.44
P2RY11 Q96G91 2/20 0.44
ACHE P22303 2/20 0.43
NT5E P21589 4/20 0.43
ENPP1 P22413 1/20 0.40
P2RX6 O15547 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX5 Q93086 1/20 0.40
P2RX7 Q99572 1/20 0.40
PNP P00491 1/20 0.40

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
SCHEMBL26811527 1.00 HINT1 (0.46) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL22337333 1.00 HINT1 (0.46) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL26808564 0.92 ACHE (0.45) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL6761729 0.88 LMNA (0.58) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL6761727 0.88 LMNA (0.58) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL14428957 0.87 LMNA (0.57) HINT1LMNAALDH1A1TP53MAPT
SCHEMBL22337354 0.86 HINT1 (0.56) HINT1P2RX3P2RX4P2RX2P2RY11
SCHEMBL22337046 0.86 HINT1 (0.56) HINT1P2RX3P2RX4P2RX2P2RY11
SCHEMBL26809512 0.86 HINT1 (0.56) HINT1P2RX3P2RX4P2RX2P2RY11
SCHEMBL26810449 0.86 P2RX3 (0.59) LMNAP2RX3P2RX4P2RX2P2RY11

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 HINT1 152/4885LMNA 2073/4885ALDH1A1 3161/4885

“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.