SCHEMBL27213342

SCHEMBL27213342

C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2ccc(CC(C)(C)O)s2)n1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 13/20 0.49
▸ CDK2 P24941 13/20 0.49
▸ CCND3 P30281 13/20 0.49
▸ CDK6 Q00534 13/20 0.49
▸ CDK4 P11802 12/20 0.49
▸ CCND1 P24385 12/20 0.49
▸ CDK1 P06493 8/20 0.49
▸ CCNB1 P14635 8/20 0.49
▸ CCNT1 O60563 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ MAPK3 P27361 1/20 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
SCHEMBL30906843 0.88 CCNE1 (0.49) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213251 0.88 CCNE1 (0.49) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213115 0.84 CDK2 (0.46) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL30906840 0.84 CDK2 (0.46) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213219 0.81 CCND3 (0.49) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL25434950 0.81 CCNE1 (0.50) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213177 0.80 CCNE1 (0.49) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213272 0.80 CCNE1 (0.49) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL30906788 0.80 CCNE1 (0.42) CCNE1CDK2CCND3CDK6CDK4
SCHEMBL27213210 0.80 CCNE1 (0.42) CCNE1CDK2CCND3CDK6CDK4

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-20240150340-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2024-05-09 — — 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-20240150340-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CCNE1 36/4885CDK2 4/4885CCND3 49/4885

“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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