SCHEMBL22843495

SCHEMBL22843495

C/C=C(/COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)ncnc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 8/20 0.49
▸ CDK1 P06493 7/20 0.49
▸ CCNB2 O95067 6/20 0.49
▸ CCNB1 P14635 6/20 0.49
▸ CCNB3 Q8WWL7 6/20 0.49
▸ NT5E P21589 4/20 0.48
▸ CCNE2 O96020 7/20 0.44
▸ CCNE1 P24864 7/20 0.44
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCNA2 P20248 3/20 0.40
▸ CCNA1 P78396 3/20 0.40

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
SCHEMBL22843545 0.95 CDK1 (0.54) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843552 0.92 CCNB2 (0.47) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843640 0.91 CCNB2 (0.47) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843611 0.89 CDK1 (0.45) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843550 0.89 CDK2 (0.46) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL19370351 0.89 NT5E (0.50) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843662 0.86 ADORA3 (0.41) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843632 0.85 NT5E (0.54) CDK2CDK1CCNB1NT5ECCNE1
SCHEMBL22843534 0.84 CDK2 (0.48) CDK2CDK1CCNB2CCNB1CCNB3
SCHEMBL22843642 0.84 CDK1 (0.56) CDK2CDK1NT5E

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 CDK2 4654/4885CDK1 4327/4885CCNB2 4107/4885

“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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