SCHEMBL16248284

SCHEMBL16248284

Cc1c(Br)c(=O)n(C2CCCC2)c2nc(Nc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cn3)ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.61
CCND1 P24385 17/20 0.61
CCND2 P30279 14/20 0.61
CCND3 P30281 14/20 0.61
CDK6 Q00534 4/20 0.59
CCNA2 P20248 4/20 0.51
CDK2 P24941 4/20 0.51
CCNB2 O95067 2/20 0.51
CCNE2 O96020 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNE1 P24864 2/20 0.51
CCNA1 P78396 2/20 0.51
CCNB3 Q8WWL7 2/20 0.51
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
CHEK1 O14757 1/20 0.49
DAPK3 O43293 1/20 0.49

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
SCHEMBL4828452 0.98 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK6
SCHEMBL31073096 0.91 CDK4 (0.73) CDK4CCND1CCND2CCND3CDK6
SCHEMBL19766669 0.91 CDK4 (0.73) CDK4CCND1CCND2CCND3CDK6
SCHEMBL29615455 0.88 CDK4 (0.75) CDK4CCND1CCND2CCND3CDK6
SCHEMBL2074567 0.88 CDK4 (0.75) CDK4CCND1CCND2CCND3CDK6
SCHEMBL6222979 0.88 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK6
SCHEMBL17311352 0.87 CDK4 (0.63) CDK4CCND1CCND2CCND3CDK6
SCHEMBL20448709 0.87 CDK4 (0.60) CDK4CCND1CCND2CCND3CDK6
SCHEMBL28050687 0.86 CDK4 (0.58) CDK4CCND1CCND2CCND3CDK6
SCHEMBL16248285 0.84 CDK4 (0.57) CDK4CCND1CCND2CCND3CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357922-B1 2-((5-(1-(3-(METHYLSULFONYL)PROPYL)PIPERIDIN-4-YL)PYRIDIN-2-YL)AMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS CDK4 INHIBITORS FOR TREATING TUMORS GUANGZHOU BEBETTER MEDICINE TECH CO LTD (CN) 2020-08-26 EP disclosed
EP-3357922-B1 2-((5-(1-(3-(METHYLSULFONYL)PROPYL)PIPERIDIN-4-YL)PYRIDIN-2-YL)AMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS CDK4 INHIBITORS FOR TREATING TUMORS GUANGZHOU BEBETTER MEDICINE TECH CO LTD (CN) 2020-08-26 EP disclosed
US-10183941-B2 Pyrimidine or pyridopyridone compound and application thereof GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2019-01-22 US disclosed
US-20180297995-A1 PYRIMIDINE OR PYRIDOPYRIDONE COMPOUND AND APPLICATION THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2018-10-18 US disclosed
EP-3357922-A1 PYRIMIDINE OR PYRIDOPYRIDONE COMPOUND AND APPLICATION THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2018-08-08 EP disclosed
CN-105130986-B Pyrimidine or pyridopyridine ketone compounds and its application 广州科擎新药开发有限公司 2017-07-18 CN disclosed
CN-105130986-A Pyrimidine or pyridino-pyridone compound and application thereof GUANGZHOU KEQIN NEW MEDICINE DEV CO LTD 2015-12-09 CN disclosed
WO-2014183520-A1 THIOPHENE MIAZINES DERIVATE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATION THEREOF 上海恒瑞医药有限公司 (CN) 2014-11-20 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 (2 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-10183941-B2 Pyrimidine or pyridopyridone compound and application thereof CDK6, CDK4, CDK2 CDK4 2/4885CCND1 23/4885CCND2 36/4885
US-20180297995-A1 PYRIMIDINE OR PYRIDOPYRIDONE COMPOUND AND APPLICATION THEREOF CDK6, CDK4, CDK2 CDK4 2/4885CCND1 23/4885CCND2 36/4885

“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.