SCHEMBL66909

SCHEMBL66909

C[Si](C)(C)CCOCn1c(-c2ccc(C(F)(F)F)cc2)nc(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.47
MYC P01106 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
PTPN1 P18031 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARD Q03181 1/20 0.32
CASR P41180 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6984533 0.88 DGAT1 (0.43) DGAT1ALOX5APFEN1LMNAKDM4E
SCHEMBL68112 0.86 DGAT1 (0.41) DGAT1MYCKDM4EALDH1A1
SCHEMBL67447 0.85 DGAT1 (0.40) DGAT1MYCLMNAKDM4ECASR
SCHEMBL68777 0.80 LMNA (0.34) MYCLMNATHRBPTPN1SIGMAR1
SCHEMBL67724 0.79 DGAT1 (0.41) DGAT1ALOX5APFEN1PTPN1
SCHEMBL17810234 0.77 DGAT1 (0.46) DGAT1MYCALOX5APFEN1
SCHEMBL1494630 0.77 DGAT1 (0.36) DGAT1ALOX5APFEN1
SCHEMBL23781131 0.76 DGAT1 (0.39) DGAT1MYCALOX5APFEN1KDM4E
SCHEMBL5213310 0.74 DGAT1 (0.37) DGAT1MYC
SCHEMBL22234417 0.74 DGAT1 (0.40) DGAT1MYCKDM4ECASRALDH1A1

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 15 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-8859548-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2014-10-14 US disclosed
EP-2470528-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2014-10-01 EP disclosed
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS AG (CH) 2014-01-09 US disclosed
US-8563553-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2013-10-22 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-09-06 US disclosed
US-8242260-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-2470528-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2012-07-04 EP disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
WO-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed
US-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-03-03 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 (5 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-20110052578-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885MYC 417/4885ALOX5AP 4280/4885
US-20120225899-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885MYC 417/4885ALOX5AP 4280/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS DGAT1 3367/4885MYC 15/4885ALOX5AP 3868/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS DGAT1 2240/4885MYC 41/4885ALOX5AP 3764/4885
US-20140011825-A1 Compounds and Compositions as Protein Kinase Inhibitors RAF1, BRAF, ARAF DGAT1 4099/4885MYC 417/4885ALOX5AP 4280/4885

“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.