SCHEMBL22337046

SCHEMBL22337046

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)c3ccccc3)C(N(Cc3ccccc3)Cc3ccccc3)C2OC(=O)c2ccccc2)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 7/20 0.56
GSK3A P49840 2/20 0.56
RPS6KA3 P51812 2/20 0.56
MAPK14 Q16539 2/20 0.56
PNP P00491 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAAR1 Q96RJ0 2/20 0.44
NT5E P21589 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX3 P56373 1/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX2 Q9UBL9 1/20 0.43
P2RY11 Q96G91 1/20 0.43
FUT6 P51993 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL26809512 1.00 HINT1 (0.56) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL22337354 1.00 HINT1 (0.56) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL26808568 0.92 HINT1 (0.51) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL6883237 0.88 GSK3A (0.62) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL22337045 0.86 HINT1 (0.46) HINT1PNPNT5EP2RX3P2RX4
SCHEMBL22337333 0.86 HINT1 (0.46) HINT1PNPNT5EP2RX3P2RX4
SCHEMBL26811527 0.86 HINT1 (0.46) HINT1PNPNT5EP2RX3P2RX4
SCHEMBL26810449 0.85 P2RX3 (0.59) GSK3ARPS6KA3MAPK14NT5EP2RX3
SCHEMBL4414395 0.83 GSK3A (0.60) HINT1GSK3ARPS6KA3MAPK14PNP
SCHEMBL13597934 0.83 GSK3A (0.60) HINT1GSK3ARPS6KA3MAPK14PNP

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 152/4885GSK3A 3449/4885RPS6KA3 2405/4885

“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.