SCHEMBL22215137

SCHEMBL22215137

CO[C@H](COCP(=O)(O)O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccccc3)nc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 5/20 0.57
▸ NT5E P21589 12/20 0.56
▸ CDK5 Q00535 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CDK2 P24941 1/20 0.45

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
SCHEMBL22214990 0.87 CDK1 (0.55) CDK1NT5ECDK5NPC1CDK2
SCHEMBL22214988 0.85 NT5E (0.54) NT5ECDK5NPC1
SCHEMBL22843642 0.83 CDK1 (0.56) CDK1NT5ECDK5KDM4ENPC1
SCHEMBL19370191 0.81 NT5E (0.57) CDK1NT5ECDK5KDM4ENPC1
SCHEMBL24835901 0.80 CDK1 (0.51) CDK1NT5ECDK5KDM4ENPC1
SCHEMBL19370192 0.79 NT5E (0.58) CDK1NT5ECDK5
SCHEMBL19370203 0.79 NT5E (0.52) CDK1NT5ECDK5
SCHEMBL24078875 0.79 NT5E (0.47) CDK1NT5ECDK5CDK2
SCHEMBL22215136 0.78 NT5E (0.52) NT5E
SCHEMBL19370180 0.78 NT5E (0.58) CDK1NT5ECDK5CDK2

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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ARCUS BIOSCIENCES, INC. (US) 2021-07-13 — — US disclosed
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ARCUS BIOSCIENCES, INC. 2020-07-16 — — 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 (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-11058704-B2 Inhibitors of adenosine 5′-nucleotidase ENTPD5, NT5C2, ENTPD1 CDK1 2231/4885NT5E 4/4885CDK5 1095/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 CDK1 2246/4885NT5E 4/4885CDK5 1053/4885

“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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