SCHEMBL612227

SCHEMBL612227

Cn1nc(Cl)cc([Si](C)(C)C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
NOTUM Q6P988 1/20 0.33
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD4 O60885 2/20 0.30
BRD2 P25440 2/20 0.30
BRD3 Q15059 2/20 0.30

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
SCHEMBL10202026 0.78 SMN1; SMN2 (0.38) LMNAALDH1A1HTTATM
SCHEMBL709488 0.77 LMNA (0.48) LMNAALDH1A1HTTATMNOTUM
SCHEMBL958691 0.75 BRD4 (0.36) LMNAALDH1A1HTTATMKAT2B
SCHEMBL103897 0.73 AURKA (0.36) LMNAALDH1A1HTTATMKAT2B
SCHEMBL31612727 0.73 COMT (0.37) LMNAALDH1A1HTTNOTUM
SCHEMBL31612726 0.73 COMT (0.37) LMNAALDH1A1HTTNOTUM
SCHEMBL13729211 0.71 ALDH1A1 (0.36) LMNAALDH1A1HTTATMKAT2B
SCHEMBL31612733 0.69 THRA (0.34) LMNAALDH1A1HTTATMKAT2B
SCHEMBL25610036 0.69 HPGD (0.39) LMNAALDH1A1HTTATMNOTUM
SCHEMBL16037403 0.67 ALDH3A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153984-B Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2015-04-22 CN disclosed
US-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
EP-2603500-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
EP-2603500-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
CN-103153984-A Inhibitors of bruton's tyrosine kinase HOFFMANN LA ROCHE 2013-06-12 CN disclosed
WO-2012020008-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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 (2 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN LMNA 4654/4885ALDH1A1 4422/4885HTT 4501/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN LMNA 4654/4885ALDH1A1 4422/4885HTT 4501/4885

“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.