Sugi Predict

Sugi Predict / Compounds / SCHEMBL22129294

SCHEMBL22129294

SCHEMBL22129294

COC(=O)CC(C)n1c(C)nc2c(F)cc(-c3nc(Cl)ncc3F)cc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 18/20 0.49
▸ CDK6 Q00534 15/20 0.49
▸ CDK2 P24941 5/20 0.49
▸ CCND3 P30281 12/20 0.47
▸ CCND1 P24385 11/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ EGFR P00533 2/20 0.45

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
SCHEMBL22129323 1.00 CDK4 (0.49) CDK4CDK6CDK2CCND3CCND1
SCHEMBL23749547 0.89 CDK4 (0.47) CDK4CDK6CDK2CCND3CCND1
SCHEMBL23749548 0.89 CDK4 (0.47) CDK4CDK6CDK2CCND3CCND1
SCHEMBL22129327 0.85 CDK4 (0.43) CDK4CDK6CDK2CCND3CCND1
SCHEMBL2514899 0.81 CDK4 (0.55) CDK4CDK6CDK2CCND3CCND1
SCHEMBL29669654 0.81 CDK4 (0.55) CDK4CDK6CDK2CCND3CCND1
SCHEMBL22129313 0.81 HDAC1 (0.44) CDK4CDK6CDK2CCND3CCND1
SCHEMBL22129320 0.78 ACACB (0.41) CDK4CDK6CDK2CCND3CCND1
SCHEMBL22129331 0.78 ACACB (0.41) CDK4CDK6CDK2CCND3CCND1
SCHEMBL20987199 0.77 CDK4 (0.53) CDK4CDK6CDK2CCND3CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989332-B Macrocyclic compounds as CDK inhibitors, their preparation and their use in medicine 凯复(苏州)生物医药有限公司 2022-07-26 — — CN disclosed
US-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2022-01-20 — — US disclosed
EP-3865488-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-08-18 — — EP disclosed
CN-111989332-A Macrocyclic compounds as CDK inhibitors, method for the production thereof and their use in medicine 凯复(苏州)生物医药有限公司 2020-11-24 — — CN disclosed
WO-2020125513-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 凯复制药有限公司 2020-06-25 — — WO disclosed
WO-2020125513-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 凯复制药有限公司 2020-06-25 — — WO 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-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE CDK4, CDK7, CDKL1 CDK4 1/4885CDK6 6/4885CDK2 13/4885

“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.