SCHEMBL1027144

SCHEMBL1027144

C[Si](C)(C)CCN(C(=O)O)C1CCN(c2ccc([N+](=O)[O-])cc2Br)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
WDR5 P61964 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 8/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
RHOA P61586 1/20 0.37
LMNA P02545 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36

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
SCHEMBL1027142 1.00 HTT (0.42) HTTWDR5TDP1GAAALDH1A1
SCHEMBL1025470 0.79 HTT (0.46) HTTWDR5TDP1GAAALDH1A1
SCHEMBL1025469 0.79 HTT (0.46) HTTWDR5TDP1GAAALDH1A1
SCHEMBL1023451 0.74 MAPT (0.41) HTTTDP1GAAALDH1A1SMN1; SMN2
SCHEMBL1028055 0.74 MMP1 (0.37) WDR5ALDH1A1KMT2AUBE2MDCUN1D1
SCHEMBL1028056 0.74 MMP1 (0.37) WDR5ALDH1A1KMT2AUBE2MDCUN1D1
SCHEMBL4367577 0.71 TDP1 (0.48) HTTTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1027561 0.71 TDP1 (0.48) HTTTDP1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1750104 0.70 MAPT (0.53) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1750106 0.70 MAPT (0.53) HTTALDH1A1SMN1; SMN2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK HTT 2476/4885WDR5 1800/4885TDP1 1824/4885

“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.