SCHEMBL4828477

SCHEMBL4828477

CC(=O)c1c(C)c2cnc(Nc3ccc(NCCN)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 19/20 0.69
CDK6 Q00534 6/20 0.69
CCND1 P24385 14/20 0.68
CCND3 P30281 13/20 0.68
CCND2 P30279 12/20 0.68
CCNA2 P20248 3/20 0.66
CDK2 P24941 3/20 0.66
CCNA1 P78396 2/20 0.66
CDK9 P50750 3/20 0.65
CCNT1 O60563 2/20 0.65
CHEK1 O14757 1/20 0.65
DAPK3 O43293 1/20 0.65
CCNT2 O60583 1/20 0.65
ROCK2 O75116 1/20 0.65
STK16 O75716 1/20 0.65
CCNK O75909 1/20 0.65
PDE5A O76074 1/20 0.65
PRKD3 O94806 1/20 0.65
CCNB2 O95067 1/20 0.65
ABCB11 O95342 1/20 0.65

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
SCHEMBL29507493 1.00 CDK4 (0.69) CDK4CDK6CCND1CCND3CCND2
SCHEMBL23913192 0.92 CDK4 (0.63) CDK4CDK6CCND1CCND3CCND2
SCHEMBL24235666 0.92 CDK4 (0.68) CDK4CDK6CCND1CCND3CCND2
SCHEMBL29507469 0.91 CDK4 (0.75) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4833475 0.91 CDK4 (0.75) CDK4CDK6CCND1CCND3CCND2
SCHEMBL19705661 0.91 CDK4 (0.67) CDK4CDK6CCND1CCND3CCND2
SCHEMBL28443322 0.89 CDK4 (0.69) CDK4CDK6CCND1CCND3CCND2
SCHEMBL4832860 0.89 CDK4 (0.73) CDK4CDK6CCND1CCND3CCND2
SCHEMBL30176584 0.89 CDK4 (0.73) CDK4CDK6CCND1CCND3CCND2
SCHEMBL24218585 0.88 CDK4 (0.75) CDK4CDK6CCND1CCND3CCND2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN 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
US-7456168-B2 2-(pyridin-2-ylamino)-pyrido[2,3, d]pyrimidin-7-ones WARNER-LAMBERT COMPANY (US) 2008-11-25 US claimed
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 claimed
EP-1470124-B1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES WARNER LAMBERT CO (US) 2005-12-28 EP claimed
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones WARNER-LAMBERT COMPANY 2005-06-23 US claimed
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP claimed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US claimed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 WO claimed
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT JIANGSU ALPHAMAB BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
CN-114245753-A Combination of an anti-HER 2 antibody and a CDK inhibitor for tumor therapy 江苏康宁杰瑞生物制药有限公司 2022-03-25 CN disclosed
EP-3151817-B1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF SCRIPPS RESEARCH INST (US) 2021-03-03 EP disclosed
CN-111686081-A Pyridine oxide derivative-loaded nano-microsphere and application thereof 黄泳华 2020-09-22 CN disclosed
CN-111574518-A Pyridine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-08-25 CN 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
EP-1470124-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO 2,3-d]PYRIMIDIN-7-ONES Warner-Lambert Company LLC (US) 2004-10-27 EP disclosed
US-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones BARVIAN MARK (US) 2003-08-07 US disclosed
WO-2003062236-A1 2-(PYRIDIN-2-YLAMINO)-PYRIDO[2,3d]PYRIMIDIN-7-ONES WARNER-LAMBERT COMPANY LLC (US) 2003-07-31 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 (3 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-20030149001-A1 2-(Pyridin-2-ylamino)-pyrido[2,3-d]pyrimidin-7-ones CDK4, CDK2, CDK1 CDK4 1/4885CDK6 7/4885CCND1 27/4885
US-20230118053-A1 COMBINATION OF ANTI-HER2 ANTIBODY AND CDK INHIBITIOR FOR TUMOR TREATMENT CDK6, CDK4, CDK2 CDK4 2/4885CDK6 1/4885CCND1 55/4885
US-20050137214-A1 2-(Pyridin-2-ylamino)-pyrido [2,3-D]pyrimidin-7-ones CDK4, CDK2, CDK3 CDK4 1/4885CDK6 8/4885CCND1 34/4885

“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.