SCHEMBL22843611

SCHEMBL22843611

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccc(C(C)(C)C)cc3)ncnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 9/20 0.45
▸ CCNB2 O95067 8/20 0.45
▸ CCNB1 P14635 8/20 0.45
▸ CCNB3 Q8WWL7 8/20 0.45
▸ NT5E P21589 5/20 0.43
▸ CDK2 P24941 2/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DNPH1 O43598 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL22843550 0.93 CDK2 (0.46) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843552 0.92 CCNB2 (0.47) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843640 0.91 CCNB2 (0.47) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843545 0.91 CDK1 (0.54) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843495 0.89 CDK2 (0.49) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843636 0.89 NT5E (0.46) CDK1NT5ECDK2CDK5CDK5R1
SCHEMBL22843534 0.87 CDK2 (0.48) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843662 0.86 ADORA3 (0.41) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL19370337 0.82 CDK2 (0.45) CDK1CCNB2CCNB1CCNB3NT5E
SCHEMBL22843632 0.80 NT5E (0.54) CDK1CCNB1NT5ECDK2MAPK1

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 CDK1 4327/4885CCNB2 4107/4885CCNB1 3846/4885

“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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