SCHEMBL2143583

SCHEMBL2143583

CC(C)(C)OC(=O)N1CCCN(c2ccc3ncn(COCC[Si](C)(C)C)c3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MET P08581 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
ENPP2 Q13822 2/20 0.39
ATR Q13535 1/20 0.39
SUV39H2 Q9H5I1 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
WNT3A P56704 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
SCHEMBL2142144 0.96 MAPT (0.42) PDK2MAPTLMNAALDH1A1MET
SCHEMBL2143368 0.94 PDK2 (0.41) PDK2CKS1BSKP1SKP2MAPT
SCHEMBL2128838 0.90 MAPT (0.43) PDK2MAPTLMNAALDH1A1MET
SCHEMBL15623988 0.85 MAPT (0.45) PDK2CKS1BSKP1SKP2MAPT
SCHEMBL2127475 0.84 PDK2 (0.41) PDK2CKS1BSKP1SKP2MAPT
SCHEMBL25415998 0.80 RET (0.43) GPR119
SCHEMBL30374250 0.80 RET (0.43) GPR119
SCHEMBL29837529 0.79 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL114350 0.79 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL108873 0.78 PTGDR (0.37) ENPP2PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 US 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 PDK2 323/4885CKS1B 21/4885SKP1 176/4885

“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.