SCHEMBL2487954

SCHEMBL2487954

Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)ncc3F)cc2n1C(C)C

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 16/20 0.88
CDK4 P11802 15/20 0.88
CDK1 P06493 12/20 0.88
CCND3 P30281 8/20 0.88
CCND1 P24385 5/20 0.88
CCNA2 P20248 4/20 0.88
CDK2 P24941 3/20 0.88
CCNB1 P14635 3/20 0.88
DYRK2 Q92630 2/20 0.88
CCNE1 P24864 2/20 0.88
CIT O14578 1/20 0.88
GAK O14976 1/20 0.88
DYRK3 O43781 1/20 0.88
CCNT1 O60563 1/20 0.88
STK16 O75716 1/20 0.88
CCNK O75909 1/20 0.88
STK10 O94804 1/20 0.88
PRKD3 O94806 1/20 0.88
ABCB11 O95342 1/20 0.88
MAP4K4 O95819 1/20 0.88

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
SCHEMBL15252367 0.96 CDK6 (0.89) CDK6CDK4CDK1CCND3CCND1
SCHEMBL19220702 0.94 CDK6 (0.79) CDK6CDK4CDK1CCND3CCND1
Abemaciclib SCHEMBL29356350 0.94 CDK4 (1.00) CDK6CDK4CDK1CCND3CCND1
Abemaciclib SCHEMBL2487229 0.94 CDK4 (1.00) CDK6CDK4CDK1CCND3CCND1
SCHEMBL15252470 0.94 CDK6 (0.88) CDK6CDK4CDK1CCND3CCND1
Abemaciclib SCHEMBL29423472 0.94 CDK4 (1.00) CDK6CDK4CDK1CCND3CCND1
Abemaciclib SCHEMBL29591527 0.94 CDK4 (1.00) CDK6CDK4CDK1CCND3CCND1
SCHEMBL17488760 0.94 CDK4 (0.88) CDK6CDK4CDK1CCND3CCND1
SCHEMBL17489114 0.93 CDK4 (0.87) CDK6CDK4CDK1CCND3CCND1
SCHEMBL21658739 0.93 CDK4 (0.87) CDK6CDK4CDK1CCND3CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192578-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES ENDOTARGET INC. 2023-09-21 US disclosed
US-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF NEW YORK UNIVERSITY 2022-05-12 US disclosed
US-20200339572-A1 NOVEL SELECTIVE CDK4/6 INHIBITOR AND PREPARATION THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 US disclosed
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor ACERTA PHARMA BV (NL) 2017-08-10 US disclosed
EP-2379528-B1 PROTEIN KINASE INHIBITORS LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2379528-B1 PROTEIN KINASE INHIBITORS LILLY CO ELI (US) 2013-09-18 EP disclosed
EP-2379528-A1 PROTEIN KINASE INHIBITORS Eli Lilly and Company (US) 2011-10-26 EP disclosed
US-7855211-B2 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY (US) 2010-12-21 US disclosed
US-7855211-B2 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY (US) 2010-12-21 US disclosed
US-7855211-B2 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY (US) 2010-12-21 US disclosed
WO-2010075074-A1 PROTEIN KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-07-01 WO disclosed
US-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY 2010-06-24 US disclosed
US-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases ELI LILLY AND COMPANY 2010-06-24 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-20100160340-A1 such as [5-(4-Ethyl-piperazin-1-ylmethyl)-pyridin-2-yl]-[5-fluoro-4-(7-fluoro-3-isopropyl-2-methyl-3H-benzoimidazol-5-yl)-pyrimidin-2-yl]-amine, useful in the treatment of cell proliferative diseases MKI67, PKD1, CCNI CDK6 86/4885CDK4 26/4885CDK1 155/4885
US-20230295118-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF CYCLIN DEPENDENT KINASES CDK6, CDK4, CDK1 CDK6 1/4885CDK4 2/4885CDK1 3/4885
US-20220143183-A1 PHOTOSWITCHABLE PROTACS AND SYNTHESIS AND USES THEREOF MDM2, UBE3C, CUL1 CDK6 541/4885CDK4 234/4885CDK1 355/4885
US-20170224819-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, and/or a CDK 4/6 Inhibitor BTK, CDK6, CDK4 CDK6 2/4885CDK4 3/4885CDK1 14/4885
US-20200339572-A1 NOVEL SELECTIVE CDK4/6 INHIBITOR AND PREPARATION THEREOF CDK4, CDK6, CCNI CDK6 2/4885CDK4 1/4885CDK1 7/4885

“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.