SCHEMBL68342

SCHEMBL68342

C[Si](C)(C)CCOCn1c(N2CCNCC2)nc(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.41
KCNH2 Q12809 3/20 0.33
HTR2C P28335 2/20 0.33
FLT3 P36888 1/20 0.33
HTR3A P46098 3/20 0.33

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
SCHEMBL5201005 0.82 HTR2C (0.34) PIM1HTR2C
SCHEMBL4847436 0.79 HTR2C (0.36) PIM1HTR2CHTR3A
SCHEMBL4842921 0.79 HTR2C (0.38) PIM1HTR2C
SCHEMBL5213310 0.77 DGAT1 (0.37)
SCHEMBL67719 0.75 DGAT1 (0.35)
SCHEMBL68028 0.74 ACVR1 (0.42)
SCHEMBL23123528 0.72 DGAT1 (0.34)
SCHEMBL1494588 0.71 DGAT1 (0.32)
SCHEMBL3637817 0.71 DGAT1 (0.33)
SCHEMBL26965213 0.71 DGAT1 (0.33)

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 11 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
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
US-7439360-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-10-21 US disclosed
EP-1802605-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Amgen, Inc (US) 2007-07-04 EP disclosed
WO-2006044527-A1 IMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS AMGEN INC. (US) 2006-04-27 WO disclosed
US-20060084640-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-04-20 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 (3 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-20060084640-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PIM1 3636/4885KCNH2 299/4885HTR2C 119/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS PIM1 345/4885KCNH2 4723/4885HTR2C 3306/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS PIM1 515/4885KCNH2 4229/4885HTR2C 3647/4885

“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.