SCHEMBL20448604

SCHEMBL20448604

C=C(OCC)c1c(C)c2cnc(Nc3ccc(C4CCN(C(=O)O)CC4)cn3)nc2n(C2CCCC2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 20/20 0.64
CDK6 Q00534 6/20 0.64
CCND1 P24385 15/20 0.59
CCND3 P30281 14/20 0.59
CCND2 P30279 13/20 0.59
CDK2 P24941 5/20 0.59
CDK12 Q9NYV4 1/20 0.55
CCNA2 P20248 4/20 0.54
CCNA1 P78396 3/20 0.54
CDK9 P50750 2/20 0.54
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
CCNT1 O60563 1/20 0.54
CCNT2 O60583 1/20 0.54
ROCK2 O75116 1/20 0.54
STK16 O75716 1/20 0.54
CCNK O75909 1/20 0.54
PDE5A O76074 1/20 0.54
PRKD3 O94806 1/20 0.54
CCNB2 O95067 1/20 0.54

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
SCHEMBL28143366 0.93 CDK4 (0.60) CDK4CDK6CCND1CCND3CCND2
SCHEMBL20448709 0.91 CDK4 (0.60) CDK4CDK6CCND1CCND3CCND2
SCHEMBL15874548 0.89 CDK4 (0.71) CDK4CDK6CCND1CCND3CCND2
SCHEMBL15874687 0.87 CDK4 (0.69) CDK4CDK6CCND1CCND3CCND2
SCHEMBL20448665 0.86 CDK4 (0.57) CDK4CDK6CCND1CCND3CCND2
SCHEMBL16248285 0.85 CDK4 (0.57) CDK4CDK6CCND1CCND3CCND2
SCHEMBL17311352 0.83 CDK4 (0.63) CDK4CDK6CCND1CCND3CCND2
SCHEMBL30176499 0.83 CDK4 (0.77) CDK4CDK6CCND1CCND3CCND2
SCHEMBL2622292 0.83 CDK4 (0.77) CDK4CDK6CCND1CCND3CCND2
SCHEMBL20490014 0.83 CDK4 (0.66) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220640-A1 CDK PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2023-11-16 WO 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

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 2/4885CDK6 1/4885CCND1 23/4885
US-20180297995-A1 PYRIMIDINE OR PYRIDOPYRIDONE COMPOUND AND APPLICATION THEREOF CDK6, CDK4, CDK2 CDK4 2/4885CDK6 1/4885CCND1 23/4885

“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.