SCHEMBL68061

SCHEMBL68061

CCS(=O)(=O)N1CCN(c2nc(-c3cnc(N)c(OC)c3)c(Br)n2COCC[Si](C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.35
KMT2A Q03164 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
MAP3K11 Q16584 1/20 0.33
NEK2 P51955 4/20 0.32
TNIK Q9UKE5 1/20 0.32
ACHE P22303 1/20 0.32
SUV39H2 Q9H5I1 4/20 0.31
ACVR1 Q04771 3/20 0.31
NOD2 Q9HC29 3/20 0.31
RIPK2 O43353 2/20 0.31
FYN P06241 1/20 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
SCHEMBL68587 0.86 PRMT5 (0.34) PRMT5KMT2APIK3CAMTORTNIK
SCHEMBL68028 0.86 ACVR1 (0.42) ACVR1NOD2RIPK2FYN
SCHEMBL84579 0.76 DGAT1 (0.39) PIK3CATNIKFYN
SCHEMBL67109 0.76 TNIK (0.43) PIK3CATNIKFYN
SCHEMBL68131 0.67 PRMT5 (0.40) PRMT5PIK3CAMTORMAP3K11SUV39H2
SCHEMBL15181498 0.66 DGAT1 (0.40) PIK3CAMTOR
SCHEMBL66844 0.66 PRMT5 (0.40) PRMT5PIK3CAMTORMAP3K11SUV39H2
SCHEMBL4842921 0.65 HTR2C (0.38)
SCHEMBL68603 0.62 TNIK (0.39) TNIKFYN
SCHEMBL84580 0.61 DGAT1 (0.49) PIK3CAFYN

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-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 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 (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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PRMT5 2251/4885KMT2A 2016/4885PIK3CA 30/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PRMT5 1689/4885KMT2A 1690/4885PIK3CA 45/4885

“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.