SCHEMBL18285201

SCHEMBL18285201

Nc1cccc(N)c1-c1nn(C2CCCCO2)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.37
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
MAP3K5 Q99683 1/20 0.36
ATR Q13535 4/20 0.36
RET P07949 2/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
GAA P10253 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL22236065 0.83 PDE4A (0.37) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL20764905 0.82 GAA (0.42) DGAT2MAP3K5RETALDH1A1LMNA
SCHEMBL30602770 0.78 DGAT2 (0.39) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL1513072 0.78 CMKLR1 (0.41) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL168052 0.77 DDB1 (0.51) MAP3K5ATRRETALDH1A1LMNA
SCHEMBL24268660 0.77 MAP3K5 (0.39) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL1114562 0.77 DGAT2 (0.38) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL1513052 0.77 MAP3K5 (0.37) DGAT2PDE4APDE4BPDE4CPDE4D
SCHEMBL14538892 0.77 GAA (0.45) DGAT2MAP3K5ATRRETALDH1A1
SCHEMBL29879089 0.77 MAP3K5 (0.39) DGAT2PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4342540-A2 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS Aurigene Oncology Limited (IN) 2024-03-27 EP disclosed
EP-3302448-B1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS AURIGENE ONCOLOGY LTD (IN) 2023-10-25 EP disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
CN-113773257-A Substituted heterocyclic derivatives as CDK inhibitors 奥瑞基尼探索技术有限公司 2021-12-10 CN disclosed
US-11174232-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-11-16 US disclosed
CN-108024970-B Substituted heterocyclic derivatives as CDK inhibitors 奥瑞基尼探索技术有限公司 2021-10-01 CN disclosed
US-20200262793-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-08-20 US disclosed
US-10689347-B2 Substituted heterocyclyl derivatives as CDK inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-06-23 US disclosed
US-20180362471-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-12-20 US disclosed
US-20180155293-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-06-07 US disclosed
EP-3302448-A1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS Aurigene Discovery Technologies Limited (IN) 2018-04-11 EP disclosed
WO-2016193939-A1 SUBSTITUTED HETEROCYCLYL DERIVATIVES AS CDK INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2016-12-08 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 (6 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-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 DGAT2 3485/4885PDE4A 2195/4885PDE4B 2246/4885
US-11174232-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 DGAT2 3485/4885PDE4A 2195/4885PDE4B 2246/4885
US-20180362471-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK17, CDK1 DGAT2 3488/4885PDE4A 2421/4885PDE4B 2475/4885
US-20180155293-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK17, CDK1 DGAT2 3488/4885PDE4A 2421/4885PDE4B 2475/4885
US-10689347-B2 Substituted heterocyclyl derivatives as CDK inhibitors CDK19, CDK9, CDK1 DGAT2 3485/4885PDE4A 2195/4885PDE4B 2246/4885
US-20200262793-A1 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 DGAT2 3485/4885PDE4A 2195/4885PDE4B 2246/4885

“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.