SCHEMBL22214990

SCHEMBL22214990

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 8/20 0.55
▸ CCNB2 O95067 6/20 0.55
▸ CCNB1 P14635 6/20 0.55
▸ CCNB3 Q8WWL7 6/20 0.55
▸ CDK2 P24941 2/20 0.55
▸ DNPH1 O43598 1/20 0.46
▸ NT5E P21589 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TMIGD3 P0DMS9 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ ADORA3 P0DMS8 2/20 0.44
▸ P2RX3 P56373 1/20 0.43
▸ P2RX2 Q9UBL9 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ MAPK1 P28482 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
SCHEMBL21450235 0.89 NT5E (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22215137 0.87 CDK1 (0.57) CDK1CDK2NT5ENPC1CDK5
SCHEMBL27430176 0.85 CDK1 (0.63) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370351 0.85 NT5E (0.50) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL22843545 0.82 CDK1 (0.54) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370287 0.82 CCNB2 (0.47) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL20008058 0.81 CDK1 (0.55) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370337 0.79 CDK2 (0.45) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL19370191 0.78 NT5E (0.57) CDK1CDK2NT5ENPC1CDK5
SCHEMBL22843495 0.78 CDK2 (0.49) CDK1CCNB2CCNB1CCNB3CDK2

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 2231/4885CCNB2 4453/4885CCNB1 4347/4885
US-20200222441-A1 INHIBITORS OF ADENOSINE 5'-NUCLEOTIDASE ENTPD5, NT5C2, ENTPD1 CDK1 2246/4885CCNB2 4456/4885CCNB1 4354/4885

“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.

Send feedback