SCHEMBL22901090

SCHEMBL22901090

FC(F)(F)c1cnc(NC2CCNCC2)nc1-c1cnn(C2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 14/20 0.72
▸ CDK2 P24941 14/20 0.72
▸ CDK1 P06493 12/20 0.72
▸ CCNB1 P14635 12/20 0.72
▸ CDK4 P11802 10/20 0.60
▸ CCND1 P24385 10/20 0.60
▸ CCND3 P30281 10/20 0.60
▸ CDK6 Q00534 10/20 0.60
▸ CCNT1 O60563 5/20 0.46
▸ CDK7 P50613 5/20 0.46
▸ CDK9 P50750 5/20 0.46
▸ CCNH P51946 5/20 0.46
▸ MNAT1 P51948 5/20 0.46
▸ AXL P30530 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ LRRK2 Q5S007 2/20 0.42
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL22900967 0.89 CCNE1 (0.60) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22901207 0.86 CCNE1 (0.59) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900903 0.84 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900865 0.84 CCNE1 (0.84) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900840 0.83 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900862 0.80 CCNE1 (0.77) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22901199 0.80 CCNE1 (0.79) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900843 0.79 CCNE1 (1.00) CCNE1CDK2CDK1CCNB1CDK4
SCHEMBL22900832 0.79 CCNE1 (0.70) CCNE1CDK2CDK1CCNB1CDK4
Hydrochloric Acid SCHEMBL30810459 0.78 CCNE1 (0.69) 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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