SCHEMBL22900786

SCHEMBL22900786

Cn1cnc(S(=O)(=O)N2CCC(Nc3ncc(C(F)(F)F)c(-c4cn[nH]c4)n3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 20/20 0.71
▸ CDK2 P24941 20/20 0.71
▸ CCND1 P24385 14/20 0.71
▸ CDK6 Q00534 14/20 0.71
▸ CDK1 P06493 13/20 0.71
▸ CCNB1 P14635 13/20 0.71
▸ CDK4 P11802 12/20 0.71
▸ CCND3 P30281 12/20 0.71
▸ CCNT1 O60563 6/20 0.71
▸ CDK7 P50613 6/20 0.71
▸ CDK9 P50750 6/20 0.71
▸ CCNH P51946 6/20 0.71
▸ MNAT1 P51948 6/20 0.71

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
SCHEMBL22977480 0.86 CCNE1 (0.75) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977326 0.86 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22900799 0.85 CCNE1 (0.66) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22900787 0.84 CCNE1 (0.54) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30449106 0.84 CCNE1 (0.69) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22977071 0.84 CCNE1 (0.69) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22900977 0.83 CCNE1 (0.62) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22900898 0.83 CCNE1 (1.00) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL22900798 0.82 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK1
SCHEMBL30449148 0.82 CCNE1 (0.67) CCNE1CDK2CCND1CDK6CDK1

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 1/4885CCND1 51/4885

“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