SCHEMBL22901115

SCHEMBL22901115

CS(=O)(=O)N1CCC(Nc2ncc(C#N)c(Cl)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 19/20 0.55
CDK2 P24941 19/20 0.55
CDK1 P06493 6/20 0.55
CCNB1 P14635 6/20 0.55
CCNB2 O95067 3/20 0.55
CCNE2 O96020 3/20 0.55
CDK5 Q00535 3/20 0.55
CDK5R1 Q15078 3/20 0.55
CCNB3 Q8WWL7 3/20 0.55
CCND1 P24385 12/20 0.54
CDK6 Q00534 12/20 0.54
CCNT1 O60563 9/20 0.54
CDK4 P11802 9/20 0.54
CDK9 P50750 9/20 0.54
CCND3 P30281 3/20 0.54
CDK7 P50613 2/20 0.54
CCNH P51946 2/20 0.54
MNAT1 P51948 2/20 0.54
IKBKB O14920 1/20 0.53

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
SCHEMBL29631625 1.00 CCNE1 (0.55) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL22901104 0.90 CDK2 (0.50) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL22900808 0.88 CCNE1 (0.56) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL26918876 0.86 CCNE1 (0.54) CCNE1CDK2CDK1CCNB1CCNE2
SCHEMBL22977477 0.85 CCNE1 (0.68) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL24477981 0.83 CDK2 (0.53) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL29631714 0.83 CDK2 (0.53) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL24478150 0.82 CCNE1 (0.53) CCNE1CDK2CDK1CCNB1CCND1
SCHEMBL26941917 0.82 CCNE1 (0.52) CCNE1CDK2CDK1CCNB1CCNB2
SCHEMBL30496639 0.82 CCR6 (0.52) CCNE1CDK2CDK1CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166635-A1 AMINOHETEROARYL KINASE INHIBITORS Allorion Therapeutics Inc 2024-05-23 US disclosed
CN-116528869-A Amino heteroaryl kinase inhibitors 安锐生物医药科技(广州)有限公司 2023-08-01 CN disclosed
CN-116348458-A Imidazolylpyrimidinylamine compounds as CDK2 inhibitors 因赛特公司 2023-06-27 CN disclosed
US-20230024173-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS INCYTE CORPORATION 2023-01-26 US disclosed
WO-2022111621-A1 AMINOHETEROARYL KINASE INHIBITORS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2022-06-02 WO 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
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 (4 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 1/4885CDK1 6/4885
US-20210047294-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 CCNE1 43/4885CDK2 1/4885CDK1 7/4885
US-20230024173-A1 IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK4, CDK2AP2 CCNE1 43/4885CDK2 1/4885CDK1 7/4885
US-20240166635-A1 AMINOHETEROARYL KINASE INHIBITORS CDK2, CDK3, CDKL1 CCNE1 58/4885CDK2 1/4885CDK1 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.