SCHEMBL1167036

SCHEMBL1167036

COC(=O)c1ncoc1-c1cccc(C(C)(C)O[SiH2]C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.40
FBP1 P09467 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADORA2A P29274 1/20 0.37
FPR2 P25090 1/20 0.35
HCRTR2 O43614 7/20 0.34
LMNA P02545 1/20 0.34
HCRTR1 O43613 1/20 0.33

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
SCHEMBL1166675 0.89 ADORA2A (0.41) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL9125394 0.75 GSK3B (0.64) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1167327 0.75 GSK3B (0.43) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1969272 0.74 ADORA2A (0.64) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1167542 0.74 FBP1 (0.47) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1167034 0.74 GSK3B (0.45) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1166876 0.73 GSK3B (0.50) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1969052 0.73 HCRTR2 (0.50) GSK3BFBP1MEN1KMT2AADORA2A
SCHEMBL1166205 0.72 GSK3B (0.43) GSK3BFBP1MEN1KMT2AFPR2
SCHEMBL5470802 0.72 HCRTR2 (0.50) GSK3BFBP1MEN1KMT2AADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 GSK3B 2540/4885FBP1 1879/4885MEN1 2602/4885

“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.