SCHEMBL15058604

SCHEMBL15058604

C[Si](C)(C)CCOCn1ccc2c(CN)cncc21

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL15102134 0.88 MAPT (0.35) DGAT1NPC1MAPT
SCHEMBL15058389 0.86 MAPT (0.36) DGAT1NPC1MAPT
SCHEMBL15058089 0.82 MAPT (0.38) DGAT1NPC1MAPT
SCHEMBL21768429 0.82 DGAT1 (0.40) DGAT1NPC1MAPT
SCHEMBL15058992 0.79 KDM1A (0.34) DGAT1NPC1MAPT
SCHEMBL15058648 0.76 MAPT (0.32) DGAT1NPC1MAPT
SCHEMBL129957 0.74 NPC1 (0.37) DGAT1NPC1MAPT
SCHEMBL15058090 0.74 MAPT (0.35) DGAT1NPC1MAPT
SCHEMBL31366459 0.73 MAPT (0.41) DGAT1MAPT
SCHEMBL15091003 0.72 NPC1 (0.39) DGAT1NPC1

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
EP-2794605-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-10-29 EP disclosed
US-8815877-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2014-08-26 US disclosed
US-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-07-11 US disclosed
WO-2013092940-A1 2, 4-DIAMINE-PYRIMIDINE DERIVATIVE AS SERINE/THREONINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 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-20130178486-A1 SERINE/THREONINE KINASE INHIBITORS PAK1, AKT1, PAK3 DGAT1 4694/4885NPC1 4283/4885MAPT 2494/4885

“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.