SCHEMBL2142144

SCHEMBL2142144

CC(C)(C)OC(=O)N1CCN(c2ccc3ncn(COCC[Si](C)(C)C)c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MET P08581 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP2C19 P33261 1/20 0.41
PDK2 Q15119 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
GPR119 Q8TDV5 5/20 0.40
WNT3A P56704 1/20 0.40
MAP4K4 O95819 1/20 0.39
PTGDR Q13258 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
NAMPT P43490 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
SCHEMBL2143583 0.96 PDK2 (0.40) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2128838 0.94 MAPT (0.43) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL2143368 0.90 PDK2 (0.41) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL15623988 0.89 MAPT (0.45) MAPTLMNAALDH1A1METSMN1; SMN2
SCHEMBL25415998 0.83 RET (0.43) GPR119
SCHEMBL30374250 0.83 RET (0.43) GPR119
SCHEMBL29837529 0.82 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL114350 0.82 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL108873 0.81 PTGDR (0.37) PTGDR
SCHEMBL2143659 0.80 MET (0.41) METMAP4K4

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 MAPT 1535/4885LMNA 1019/4885ALDH1A1 3598/4885

“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.