SCHEMBL22843661

SCHEMBL22843661

O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NCc4cc(Cl)cc(Cl)c4)ncnc32)[C@H](O)C1(O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 13/20 0.59
▸ ADORA3 P0DMS8 3/20 0.53
▸ DNPH1 O43598 1/20 0.49
▸ PLCG1 P19174 1/20 0.47
▸ ENPP1 P22413 1/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ P2RX3 P56373 1/20 0.46
▸ P2RX2 Q9UBL9 1/20 0.46

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
SCHEMBL22843547 0.89 NT5E (0.75) NT5EADORA3DNPH1P2RX3P2RX2
SCHEMBL22843528 0.89 NT5E (0.57) NT5EDNPH1PLCG1ENPP1
SCHEMBL22843551 0.88 NT5E (0.64) NT5EDNPH1P2RX3P2RX2
SCHEMBL22843492 0.86 NT5E (0.68) NT5EDNPH1P2RX3P2RX2
SCHEMBL19100912 0.86 NT5E (0.80) NT5EADORA3DNPH1PLCG1ENPP1
SCHEMBL22843548 0.86 NT5E (0.61) NT5EDNPH1P2RX3P2RX2
SCHEMBL22843614 0.86 NT5E (0.61) NT5EADORA3DNPH1ADORA1P2RX3
SCHEMBL22843641 0.81 NT5E (0.86) NT5E
SCHEMBL22843635 0.78 NT5E (0.74) NT5E
SCHEMBL22843631 0.78 NT5E (0.76) NT5E

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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 — — 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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 NT5E 10/4885ADORA3 19/4885DNPH1 755/4885

“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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