SCHEMBL84698

SCHEMBL84698

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 3/20 0.36
DGAT1 O75907 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HSP90AA1 P07900 1/20 0.35
NPC1 O15118 2/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL5116755 0.87 KDM4E (0.46) KDM4EHSD17B10MAPTDGAT1HPGD
SCHEMBL68153 0.84 MAPK14 (0.39) KDM4EHSD17B10MAPTDGAT1MEN1
SCHEMBL6212770 0.83 DGAT1 (0.37) KDM4EHSD17B10MAPTDGAT1HPGD
SCHEMBL67447 0.83 DGAT1 (0.40) KDM4EHSD17B10MAPTDGAT1HPGD
SCHEMBL16497623 0.82 MEN1 (0.40) KDM4EHSD17B10MAPTHPGDMEN1
SCHEMBL16511084 0.82 MAPK14 (0.43) KDM4EMEN1KMT2AALDH1A1MAPK13
SCHEMBL16497629 0.81 BRAF (0.44) MAPTMEN1KMT2AAKT1MAPK13
SCHEMBL84177 0.81 MAPT (0.35) KDM4EHSD17B10MAPTDGAT1HPGD
SCHEMBL16510873 0.81 MEN1 (0.39) KDM4EHSD17B10MAPTHPGDMEN1
SCHEMBL16497631 0.80 MEN1 (0.45) MAPTMEN1KMT2ANPC1AKT1

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-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
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS KDM4E 3041/4885HSD17B10 3523/4885MAPT 3320/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS KDM4E 2526/4885HSD17B10 2337/4885MAPT 4170/4885

“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.