SCHEMBL2074567

SCHEMBL2074567

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.75
CCND1 P24385 14/20 0.75
CCND3 P30281 13/20 0.75
CCND2 P30279 12/20 0.75
CDK6 Q00534 6/20 0.66
CDK12 Q9NYV4 1/20 0.63
CDK2 P24941 3/20 0.63
CCNA2 P20248 2/20 0.63
CDK9 P50750 2/20 0.63
CHEK1 O14757 1/20 0.60
DAPK3 O43293 1/20 0.60
CCNT1 O60563 1/20 0.60
CCNT2 O60583 1/20 0.60
ROCK2 O75116 1/20 0.60
STK16 O75716 1/20 0.60
CCNK O75909 1/20 0.60
PDE5A O76074 1/20 0.60
PRKD3 O94806 1/20 0.60
CCNB2 O95067 1/20 0.60
ABCB11 O95342 1/20 0.60

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
SCHEMBL29615455 1.00 CDK4 (0.75) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4832862 0.91 CDK4 (0.72) CDK4CCND1CCND3CCND2CDK6
SCHEMBL17311359 0.91 CDK4 (0.72) CDK4CCND1CCND3CCND2CDK6
SCHEMBL28443566 0.91 CDK4 (0.61) CDK4CCND1CCND3CCND2CDK6
SCHEMBL17550824 0.91 CDK4 (0.80) CDK4CCND1CCND3CCND2CDK6
SCHEMBL29564471 0.91 CDK4 (0.80) CDK4CCND1CCND3CCND2CDK6
Hydrochloric Acid SCHEMBL17545305 0.90 CDK4 (0.79) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4825311 0.89 CDK4 (0.68) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4000220 0.89 CDK4 (0.82) CDK4CCND1CCND3CCND2CDK6
SCHEMBL4828673 0.89 CDK4 (0.71) CDK4CCND1CCND3CCND2CDK6

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 77 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 disclosed
EP-4504727-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB Alivus Life Sciences Limited (IN) 2025-02-12 EP 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
EP-3802529-B1 A PROCESS FOR MAKING PALBOCICLIB SYNTHON BV (NL) 2023-11-01 EP disclosed
WO-2023194870-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB GLENMARK LIFE SCIENCES LIMITED (IN) 2023-10-12 WO disclosed
WO-2023194870-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB GLENMARK LIFE SCIENCES LIMITED (IN) 2023-10-12 WO disclosed
CN-115974869-A Method for synthesizing piparide intermediate 江苏希迪制药有限公司 2023-04-18 CN disclosed
CN-113683612-B Preparation method of palbociclib 山东铂源药业股份有限公司 2022-06-17 CN 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-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY 2007-08-02 US disclosed
US-7208489-B2 Inhibitors of cyclin-dependent kinases 4 (cdk4); treating proliferative disorders such as cancer; salt of 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one for example WARNER-LAMBERT COMPANY (US) 2007-04-24 US disclosed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP disclosed
US-20050222163-A1 Combinations of signal transduction inhibitors PFIZER INC 2005-10-06 US disclosed
US-6936612-B2 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2005-08-30 US disclosed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 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
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 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 (8 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 1/4885CCND1 24/4885CCND3 21/4885
US-20080021037-A1 ISETHIONATE SALT OF A SELECTIVE CDK4 INHIBITOR CDK4, CCNI, CDK3 CDK4 1/4885CCND1 24/4885CCND3 31/4885
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CDK4 1/4885CCND1 27/4885CCND3 44/4885
US-20250214994-A1 PROCESS FOR THE PREPARATION OF PALBOCICLIB CDK4, CDK2, PDGFRB CDK4 1/4885CCND1 35/4885CCND3 89/4885
US-20070179118-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO [2,3 D]PYRIMIDIN-7-ONES CDK4, CDK2, CDKL4 CDK4 1/4885CCND1 35/4885CCND3 46/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CCND1 34/4885CCND3 46/4885
US-20050222163-A1 Combinations of signal transduction inhibitors CDK4, CDK3, CDK2 CDK4 1/4885CCND1 66/4885CCND3 103/4885
US-11858928-B2 Process for making palbociclib KRAS, CDK4, FGFR1 CDK4 2/4885CCND1 108/4885CCND3 299/4885

“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.