SCHEMBL3513153

SCHEMBL3513153

C[Si](C)(C)CCOCn1nncc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
DGAT1 O75907 3/20 0.38
DPP4 P27487 1/20 0.33
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
IDO1 P14902 1/20 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
SCHEMBL13465164 0.86 CYP19A1 (0.44) CYP19A1DGAT1DPP4
SCHEMBL2658761 0.86 CYP19A1 (0.38) CYP19A1DGAT1HDAC1ALDH1A1GAA
SCHEMBL23306274 0.79 DGAT1 (0.37) CYP19A1DGAT1
SCHEMBL16278094 0.79 DGAT1 (0.36) DGAT1
SCHEMBL9952816 0.75 DGAT1 (0.36) CYP19A1DGAT1
SCHEMBL203831 0.75 CYP11B1 (0.48) DGAT1ALDH1A1IDO1
SCHEMBL21838852 0.74 DGAT1 (0.42) DGAT1ALDH1A1GAAIDO1
SCHEMBL19953625 0.73 DGAT1 (0.32) CYP19A1DGAT1ALOX5APFEN1
SCHEMBL1440942 0.72 DGAT1 (0.40) DGAT1HDAC1ALDH1A1GAAALOX5AP
SCHEMBL23119864 0.72 CYP19A1 (0.37) CYP19A1DPP4HDAC1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
US-8367706-B2 Inhibitors of janus kinases MERCK SHARP & DOHME CORP. (US) 2013-02-05 US disclosed
EP-2166846-B1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
US-20100256097-A1 INHIBITORS OF JANUS KINASES MERCK SHARP & DOHME LLC 2010-10-07 US disclosed
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 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-20100256097-A1 INHIBITORS OF JANUS KINASES JAK2, JAK3, JAK1 CYP19A1 3461/4885DGAT1 2705/4885DPP4 1364/4885

“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.