SCHEMBL22901170

SCHEMBL22901170

N#Cc1cnc(NC2CCN(S(=O)(=O)c3ccccn3)CC2)nc1-c1cnn(CC(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 1.00
CDK1 P06493 18/20 1.00
CCNB1 P14635 18/20 1.00
CCNE1 P24864 18/20 1.00
CDK4 P11802 15/20 1.00
CCND1 P24385 15/20 1.00
CCND3 P30281 15/20 1.00
CDK6 Q00534 15/20 1.00
CCNT1 O60563 9/20 1.00
CDK7 P50613 9/20 1.00
CDK9 P50750 9/20 1.00
CCNH P51946 9/20 1.00
MNAT1 P51948 9/20 1.00
CCNB2 O95067 2/20 0.41
CCNE2 O96020 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
CCNA2 P20248 2/20 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
SCHEMBL29926459 0.91 CDK2 (0.84) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22901122 0.91 CDK2 (0.84) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22900888 0.86 CCNE1 (1.00) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22900917 0.79 CDK2 (0.64) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL30810477 0.77 CDK2 (0.71) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL29926460 0.76 CDK1 (1.00) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22900928 0.76 CDK1 (1.00) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL26941974 0.76 CDK2 (0.61) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22900921 0.75 CCNE1 (0.84) CDK2CDK1CCNB1CCNE1CDK4
SCHEMBL22900898 0.74 CCNE1 (1.00) CDK2CDK1CCNB1CCNE1CDK4

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 CDK2 1/4885CDK1 6/4885CCNB1 44/4885

“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.