SCHEMBL22900886

SCHEMBL22900886

CN[C@H]1C[C@@H](n2cc(-c3nc(NC4CCN(S(=O)(=O)c5ccccn5)CC4)ncc3C(F)(F)F)cn2)C1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.64
▸ CDK2 P24941 20/20 0.64
▸ CDK1 P06493 15/20 0.64
▸ CCNB1 P14635 15/20 0.64
▸ CDK4 P11802 13/20 0.64
▸ CCND1 P24385 13/20 0.64
▸ CCND3 P30281 13/20 0.64
▸ CDK6 Q00534 13/20 0.64
▸ CCNT1 O60563 7/20 0.57
▸ CDK7 P50613 7/20 0.57
▸ CDK9 P50750 7/20 0.57
▸ CCNH P51946 7/20 0.57
▸ MNAT1 P51948 7/20 0.57

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
SCHEMBL29926324 1.00 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900947 1.00 CCNE1 (0.64) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900949 0.92 CCNE1 (0.71) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22901240 0.83 CDK2 (0.56) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900787 0.80 CCNE1 (0.54) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900962 0.78 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22901095 0.78 CCNE1 (0.78) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900780 0.77 CCNE1 (0.72) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900793 0.77 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900903 0.76 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4

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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2021-01-21 — — 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-20210017156-A1 PYRAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK2AP2, CDK4 CCNE1 42/4885CDK2 1/4885CDK1 6/4885

“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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