SCHEMBL31121908

SCHEMBL31121908

CC(C)(O)Cn1cc(-c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc2C(F)(F)F)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 15/20 0.59
CDK2 P24941 14/20 0.59
CCNE1 P24864 10/20 0.59
CCNB1 P14635 10/20 0.59
CDK4 P11802 6/20 0.59
CCND1 P24385 5/20 0.59
CCND3 P30281 5/20 0.59
CDK6 Q00534 5/20 0.59
CCNT1 O60563 7/20 0.58
CDK9 P50750 7/20 0.58
CDK7 P50613 3/20 0.58
CCNH P51946 3/20 0.58
MNAT1 P51948 3/20 0.58
CCNE2 O96020 5/20 0.54
CCNB2 O95067 5/20 0.54
CDK5 Q00535 5/20 0.54
CDK5R1 Q15078 5/20 0.54
CCNB3 Q8WWL7 5/20 0.54
PTK2 Q05397 3/20 0.47
KDR P35968 3/20 0.44

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
SCHEMBL31121909 0.89 CDK2 (0.69) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL30291182 0.88 CCNE1 (0.54) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL30291147 0.87 CDK1 (0.54) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL30291365 0.87 CDK1 (0.69) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL31121911 0.87 CDK1 (0.53) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL31121914 0.87 CCNE1 (0.55) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL30291355 0.87 CCNE1 (0.55) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL31121910 0.87 CCNE1 (0.57) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL30851406 0.86 CDK2 (0.57) CDK1CDK2CCNE1CCNB1CDK4
SCHEMBL31121907 0.85 CDK1 (0.55) CDK1CDK2CCNE1CCNB1CDK4

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-20240287040-A1 SUBSTITUTED PYRIMIDINYL-PYRAZOLES AS CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION 2024-08-29 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-20240287040-A1 SUBSTITUTED PYRIMIDINYL-PYRAZOLES AS CDK2 INHIBITORS CDK2, CCNI, CDK20 CDK1 7/4885CDK2 1/4885CCNE1 37/4885

“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.