SCHEMBL21450235

SCHEMBL21450235

CO[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccccc3)ncnc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 9/20 0.54
▸ CDK1 P06493 5/20 0.52
▸ CCNB2 O95067 4/20 0.52
▸ CCNB1 P14635 4/20 0.52
▸ CCNB3 Q8WWL7 4/20 0.52
▸ CDK2 P24941 1/20 0.52
▸ DNPH1 O43598 1/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ P2RX3 P56373 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ TMIGD3 P0DMS9 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ADORA3 P0DMS8 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
SCHEMBL19370351 0.95 NT5E (0.50) NT5ECDK1CCNB2CCNB1CCNB3
SCHEMBL19370287 0.93 CCNB2 (0.47) NT5ECDK1CCNB2CCNB1CCNB3
SCHEMBL19370337 0.90 CDK2 (0.45) NT5ECDK1CCNB2CCNB1CCNB3
SCHEMBL22214990 0.89 CDK1 (0.55) NT5ECDK1CCNB2CCNB1CCNB3
SCHEMBL19370191 0.89 NT5E (0.57) NT5ECDK1CDK2
SCHEMBL22843545 0.88 CDK1 (0.54) NT5ECDK1CCNB2CCNB1CCNB3
SCHEMBL19370192 0.87 NT5E (0.58) NT5ECDK1CCNB1
SCHEMBL24078875 0.87 NT5E (0.47) NT5ECDK1CDK2
SCHEMBL19370203 0.87 NT5E (0.52) NT5ECDK1CCNB1
SCHEMBL19370202 0.87 CDK2 (0.47) NT5ECDK1CCNB2CCNB1CCNB3

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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ARCUS BIOSCIENCES, INC. (US) 2021-04-20 — — US disclosed
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2019-10-10 — — 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-10981944-B2 Modulators of 5′-nucleotidase, ecto and the use thereof ENTPD5, NT5C2, NT5E NT5E 3/4885CDK1 3650/4885CCNB2 4718/4885
US-20190309010-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E NT5E 3/4885CDK1 3655/4885CCNB2 4732/4885

“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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