SCHEMBL68587

SCHEMBL68587

CCS(=O)(=O)N1CCN(c2nc(-c3cnc(N)c(OC)c3)c(-c3ccncc3)n2COCC[Si](C)(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.34
KMT2A Q03164 1/20 0.34
SMO Q99835 1/20 0.34
PIK3CA P42336 2/20 0.32
MTOR P42345 1/20 0.32
KDM1A O60341 1/20 0.32
CYP17A1 P05093 2/20 0.32
CYP21A2 P08686 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP19A1 P11511 1/20 0.32
MAPT P10636 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
TNIK Q9UKE5 1/20 0.32
ACHE P22303 1/20 0.31
BRAF P15056 1/20 0.31
SUV39H2 Q9H5I1 2/20 0.31
IKBKB O14920 2/20 0.31
CHUK O15111 1/20 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
SCHEMBL68061 0.86 PRMT5 (0.35) PRMT5KMT2APIK3CAMTORTNIK
SCHEMBL68131 0.75 PRMT5 (0.40) PRMT5SMOPIK3CAMTORCYP17A1
SCHEMBL68028 0.73 ACVR1 (0.42) FYNACVR1NOD2RIPK2
SCHEMBL66844 0.73 PRMT5 (0.40) PRMT5SMOPIK3CAMTORCYP17A1
SCHEMBL84579 0.66 DGAT1 (0.39) PIK3CATNIKBRAFFYN
SCHEMBL68603 0.66 TNIK (0.39) MAPTTNIKBRAFFYN
SCHEMBL67109 0.66 TNIK (0.43) PIK3CAMAPTTNIKBRAFFYN
SCHEMBL15181616 0.63 CYP17A1 (0.38) PRMT5KMT2ASMOPIK3CAMTOR
SCHEMBL4843896 0.62 TRPV1 (0.44)
SCHEMBL4841972 0.62 SOS1 (0.44) PRMT5KDM1A

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 2016/4885SMO 1276/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PRMT5 1689/4885KMT2A 1690/4885SMO 1388/4885

“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.