SCHEMBL9898136

SCHEMBL9898136

CC(C)(C)[Si](O[C@@H]1CCC(=O)[C@H](F)C1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.38
SMYD2 Q9NRG4 2/20 0.31

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
SCHEMBL9897979 1.00 BACE1 (0.38) BACE1SMYD2
SCHEMBL9897980 1.00 BACE1 (0.38) BACE1SMYD2
SCHEMBL14369931 0.83 BACE1 (0.37) BACE1SMYD2
SCHEMBL1444038 0.80 BACE1 (0.43) BACE1SMYD2
SCHEMBL5344632 0.78 BACE1 (0.35) BACE1SMYD2
SCHEMBL5337630 0.78 BACE1 (0.35) BACE1SMYD2
SCHEMBL21827847 0.78 BACE1 (0.40) BACE1SMYD2
SCHEMBL6121758 0.77 BACE1 (0.37) BACE1SMYD2
SCHEMBL5880292 0.77 BACE1 (0.39) BACE1SMYD2
SCHEMBL14461324 0.76 BACE1 (0.43) BACE1SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A BACE1 2397/4885SMYD2 318/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A BACE1 3953/4885SMYD2 204/4885

“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.