SCHEMBL20311307

SCHEMBL20311307

Cc1cc(F)c2nc(C)n(C(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 4/20 0.41
CDK4 P11802 15/20 0.40
CDK6 Q00534 10/20 0.40
CDK2 P24941 5/20 0.40
CDK1 P06493 11/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 1/20 0.39
CCND3 P30281 1/20 0.39
KDR P35968 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CDK7 P50613 2/20 0.38
CDK9 P50750 2/20 0.38
IDH1 O75874 1/20 0.38
CCNE1 P24864 1/20 0.38

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
SCHEMBL26542499 0.83 PLK4 (0.40) PLK4CDK4CDK6CDK2CDK1
SCHEMBL2490112 0.83 PLK4 (0.40) PLK4CDK4CDK6CDK2CDK1
SCHEMBL30309559 0.83 PLK4 (0.40) PLK4CDK4CDK6CDK2CDK1
SCHEMBL23598167 0.82 DCTPP1 (0.39) PLK4CDK4CDK6CDK2CDK1
SCHEMBL25632720 0.81 CDK4 (0.42) PLK4CDK4CDK6CDK2CDK1
SCHEMBL21454993 0.81 PLK4 (0.39) PLK4CDK4CDK6CDK2CDK1
SCHEMBL28477463 0.80 CDK4 (0.39) PLK4CDK4CDK6CDK2CDK1
SCHEMBL19836561 0.79 CDK4 (0.40) PLK4CDK4CDK6CDK2CDK1
SCHEMBL23639955 0.79 CDK4 (0.40) PLK4CDK4CDK6CDK2CDK1
SCHEMBL25151531 0.77 DHODH (0.39) CDK4CDK6CDK2CCND3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024119122-A1 CDK INHIBITORS AND METHODS AND USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-06-06 WO disclosed
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
US-20210213012-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER ACCUTAR BIOTECHNOLOGY INC. 2021-07-15 US disclosed
WO-2021133886-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER Accutar Biotechnology (US) 2021-07-01 WO disclosed
US-10519136-B2 Dual inhibitors of PARP1 and CDK Accutar Biotechnology (US) 2019-12-31 US disclosed
US-20190202806-A1 DUAL INHIBITORS OF PARP1 AND CDK ACCUTAR BIOTECHNOLOGY INC. 2019-07-04 US disclosed
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 EP 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-20210213012-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER CDK3, CDK4, CDK1 PLK4 119/4885CDK4 2/4885CDK6 16/4885
US-20190202806-A1 DUAL INHIBITORS OF PARP1 AND CDK PARP1, PARP11, PARP12 PLK4 134/4885CDK4 18/4885CDK6 9/4885
US-10519136-B2 Dual inhibitors of PARP1 and CDK PARP1, PARP11, PARP12 PLK4 134/4885CDK4 18/4885CDK6 9/4885

“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.