SCHEMBL21483554

SCHEMBL21483554

CC(C)(C)OC(=O)NCC(O)CCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.41
SERPINE1 P05121 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
SYK P43405 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 1/20 0.37
CYP2D6 P10635 1/20 0.36
CTSS P25774 4/20 0.36
CTSK P43235 4/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
APLNR P35414 1/20 0.35

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
SCHEMBL856286 0.86 MEN1 (0.45) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL2852153 0.86 MEN1 (0.45) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL2852156 0.86 MEN1 (0.45) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL570033 0.85 MEN1 (0.50) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL10331455 0.85 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL28229416 0.85 MEN1 (0.53) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3683917 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL8194926 0.84 MEN1 (0.56) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL14721982 0.84 TDP1 (0.50) MEN1GAAKMT2ATDP1SERPINE1
SCHEMBL10304570 0.83 MAOA (0.44) MEN1GAAKMT2ATDP1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE LEAD DISCOVERY CENTER GMBH (DE) 2021-05-20 US disclosed
WO-2019197549-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE QURIENT CO., LTD. (KR) 2019-10-17 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 (1 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-20210147427-A1 PYRAZOLO-TRIAZINE AND/OR PYRAZOLO-PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITOR OF CYCLIN DEPENDENT KINASE CDK1, CDK2, CDK15 MEN1 3650/4885GAA 3090/4885KMT2A 1633/4885

“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.