SCHEMBL2076205

SCHEMBL2076205

C=C(OCCCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.66
CDK6 Q00534 9/20 0.66
CDK12 Q9NYV4 1/20 0.62
CCND1 P24385 12/20 0.61
CCND3 P30281 11/20 0.61
CCND2 P30279 10/20 0.61
CDK2 P24941 3/20 0.61
CCNA2 P20248 2/20 0.61
CDK9 P50750 2/20 0.61
CHEK1 O14757 1/20 0.58
DAPK3 O43293 1/20 0.58
CCNT1 O60563 1/20 0.58
CCNT2 O60583 1/20 0.58
ROCK2 O75116 1/20 0.58
STK16 O75716 1/20 0.58
CCNK O75909 1/20 0.58
PDE5A O76074 1/20 0.58
PRKD3 O94806 1/20 0.58
CCNB2 O95067 1/20 0.58
ABCB11 O95342 1/20 0.58

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
SCHEMBL29600291 1.00 CDK4 (0.66) CDK4CDK6CDK12CCND1CCND3
SCHEMBL28488685 0.96 CDK4 (0.67) CDK4CDK6CDK12CCND1CCND3
SCHEMBL2077623 0.94 CDK4 (0.70) CDK4CDK6CDK12CCND1CCND3
SCHEMBL4832945 0.92 CDK4 (0.67) CDK4CDK6CDK12CCND1CCND3
SCHEMBL20490014 0.92 CDK4 (0.66) CDK4CDK6CDK12CCND1CCND3
SCHEMBL4721497 0.91 CDK4 (0.60) CDK4CDK6CDK12CCND1CCND3
SCHEMBL30616806 0.90 CDK4 (0.64) CDK4CDK6CDK12CCND1CCND3
SCHEMBL16248285 0.90 CDK4 (0.57) CDK4CDK6CDK12CCND1CCND3
SCHEMBL27647398 0.90 CDK4 (0.62) CDK4CDK6CDK12CCND1CCND3
SCHEMBL4442470 0.89 CDK4 (0.77) CDK4CDK6CDK12CCND1CCND3

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 84 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214994-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB ALIVUS LIFE SCIENCES LIMITED (IN) 2025-07-03 US claimed
WO-2023194870-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB GLENMARK LIFE SCIENCES LIMITED (IN) 2023-10-12 WO claimed
EP-3431475-B1 SOLID FORMS OF A SELECTIVE CDK4/6 INHIBITOR PFIZER (US) 2021-04-07 EP claimed
CN-111686081-A Pyridine oxide derivative-loaded nano-microsphere and application thereof 黄泳华 2020-09-22 CN claimed
CN-111574518-A Pyridine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-08-25 CN claimed
EP-3431475-A1 SOLID FORMS OF A SELECTIVE CDK4/6 INHIBITOR Pfizer Inc (US) 2019-01-23 EP claimed
EP-1648889-B1 ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR WARNER LAMBERT CO (US) 2008-10-29 EP claimed
US-7345171-B2 Isethionate salt of a selective CKD4 inhibitor WARNER-LAMBERT COMPANY LLC (US) 2008-03-18 US claimed
US-20050059670-A1 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, which is a preferential cyclin-dependent kinase 4 (CDK4) inhibitor, used for treating inflammation and cell proliferative diseases such as cancer and restenosis PFIZER INC 2005-03-17 US claimed
US-20250214994-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB ALIVUS LIFE SCIENCES LIMITED (IN) 2025-07-03 US disclosed
US-20250214994-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB ALIVUS LIFE SCIENCES LIMITED (IN) 2025-07-03 US disclosed
US-11858928-B2 Process for making palbociclib SYNTHON B.V. (NL) 2024-01-02 US disclosed
US-11858928-B2 Process for making palbociclib SYNTHON B.V. (NL) 2024-01-02 US disclosed
EP-4289844-A2 A PROCESS FOR MAKING PALBOCICLIB Synthon B.V. (NL) 2023-12-13 EP disclosed
US-7345171-B2 Isethionate salt of a selective CKD4 inhibitor WARNER-LAMBERT COMPANY LLC (US) 2008-03-18 US disclosed
US-7345171-B2 Isethionate salt of a selective CKD4 inhibitor WARNER-LAMBERT COMPANY LLC (US) 2008-03-18 US disclosed
US-20080021037-A1 ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR PFIZER INC. 2008-01-24 US disclosed
US-20080021037-A1 ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR PFIZER INC. 2008-01-24 US disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-20050059670-A1 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, which is a preferential cyclin-dependent kinase 4 (CDK4) inhibitor, used for treating inflammation and cell proliferative diseases such as cancer and restenosis PFIZER INC 2005-03-17 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 (5 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-20050059670-A1 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, which is a preferential cyclin-dependent kinase 4 (CDK4) inhibitor, used for treating inflammation and cell proliferative diseases such as cancer and restenosis CDK4, CDK5, CDK3 CDK4 1/4885CDK6 11/4885CDK12 60/4885
US-20080021037-A1 ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR CDK4, CCNI, CDK3 CDK4 1/4885CDK6 12/4885CDK12 57/4885
US-20250214994-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB CDK4, CDK2, PDGFRB CDK4 1/4885CDK6 5/4885CDK12 55/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CDK6 7/4885CDK12 78/4885
US-11858928-B2 Process for making palbociclib KRAS, CDK4, FGFR1 CDK4 2/4885CDK6 37/4885CDK12 76/4885

“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.