SCHEMBL2611089

SCHEMBL2611089

Cc1cnc2ncn(COCC[Si](C)(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.38
NPC1 O15118 1/20 0.34
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
MET P08581 1/20 0.32
MAPT P10636 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
SCHEMBL29985936 0.85 DGAT1 (0.35) DGAT1NPC1BRD4CREBBPMET
SCHEMBL2611088 0.85 MET (0.47) DGAT1NPC1BRD4CREBBPMET
SCHEMBL27628228 0.79 LTA4H (0.43) DGAT1BRD4CREBBPMAPT
SCHEMBL3304410 0.78 GSK3A (0.34) DGAT1BRD4CREBBP
SCHEMBL5952134 0.78 FGFR1 (0.41) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL19538828 0.78 BRD4 (0.46) DGAT1NPC1BRD4CREBBPMAPT
SCHEMBL1192428 0.77 DGAT1 (0.33) DGAT1
SCHEMBL30483953 0.76 LTA4H (0.45) DGAT1NPC1BRD4CREBBP
SCHEMBL21474724 0.76 LTA4H (0.45) DGAT1NPC1BRD4CREBBP
SCHEMBL5951458 0.74 MEN1 (0.56) NPC1MAPT

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
US-8450315-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-28 US disclosed
US-8158626-B2 Thiazolopyrimidine PI3K inhibitor compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2012-04-17 US disclosed
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2011-05-12 US disclosed
US-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-05-05 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-20110105464-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PI4KB, PIK3CB, PIK3C2B DGAT1 1828/4885NPC1 1321/4885BRD4 2199/4885
US-20110112085-A1 THIAZOLOPYRIMIDINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CB DGAT1 732/4885NPC1 668/4885BRD4 3253/4885

“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.