SCHEMBL22977388

SCHEMBL22977388

C[C@@H]1CN(C(=O)O)CC[C@@H]1Nc1ncc(C(F)(F)F)c(-c2c[nH]cn2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 9/20 0.40
▸ CDK2 P24941 9/20 0.40
▸ CCNK O75909 10/20 0.39
▸ CDK12 Q9NYV4 10/20 0.39
▸ CDK7 P50613 7/20 0.39
▸ CCNH P51946 7/20 0.39
▸ MNAT1 P51948 7/20 0.39
▸ CCNT1 O60563 5/20 0.39
▸ CDK9 P50750 5/20 0.39
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ CCND3 P30281 2/20 0.38
▸ CDK6 Q00534 2/20 0.38
▸ SSTR4 P31391 1/20 0.35
▸ MAPK3 P27361 2/20 0.35

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
SCHEMBL22977512 0.90 CCNE1 (0.39) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL22997632 0.90 CDK4 (0.43) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL22983953 0.85 CCNE1 (0.50) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL22977318 0.84 CCNE1 (0.54) CCNE1CDK2CDK7CCNHMNAT1
SCHEMBL22997838 0.84 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL22997627 0.82 CDK4 (0.43) CCNE1CDK2CCNKCDK12CDK7
SCHEMBL27213279 0.81 MAPK3 (0.40) CCNKCDK12CDK4CCND1CCND3
SCHEMBL31164172 0.81 MAPK3 (0.40) CCNKCDK12CDK4CCND1CCND3
SCHEMBL27213295 0.79 CDK4 (0.38) CDK2CCNKCDK12CDK7CCNH
SCHEMBL22977285 0.79 CCNE1 (0.40) CCNE1CDK2CCNKCDK12CDK7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024173-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2023-01-26 — — US disclosed
EP-4013750-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS Incyte Corporation (US) 2022-06-22 — — EP disclosed
WO-2021030537-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION (US) 2021-02-18 — — WO disclosed
US-20210047294-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2021-02-18 — — 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 (2 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-20210047294-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 CCNE1 43/4885CDK2 1/4885CCNK 6/4885
US-20230024173-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 CCNE1 43/4885CDK2 1/4885CCNK 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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