SCHEMBL15058992

SCHEMBL15058992

C[Si](C)(C)CCOCn1ccc2c(C#N)cncc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
DGAT1 O75907 1/20 0.33
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 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
SCHEMBL21768429 0.81 DGAT1 (0.40) DGAT1MAPTNPC1
SCHEMBL22803885 0.81 NPC1 (0.33) KDM1ADGAT1NPC1
SCHEMBL15058389 0.80 MAPT (0.36) DGAT1MAPTNPC1
SCHEMBL15102134 0.80 MAPT (0.35) DGAT1MAPTNPC1
SCHEMBL15058604 0.79 DGAT1 (0.34) DGAT1MAPTNPC1
SCHEMBL16611671 0.77 DGAT1 (0.34) DGAT1MAPT
SCHEMBL15058090 0.75 MAPT (0.35) DGAT1MAPTNPC1
SCHEMBL101482 0.75 DGAT1 (0.33) KDM1ADGAT1MAPTNPC1
SCHEMBL11318913 0.75 BRD4 (0.34) DGAT1
SCHEMBL565470 0.75 KDM4E (0.34) KDM1ADGAT1MAPT

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 KDM1A 1888/4885DGAT1 4694/4885MAPT 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.