SCHEMBL84177

SCHEMBL84177

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(Br)c1-c1ccnc(Cl)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
DGAT1 O75907 3/20 0.35
MAPK14 Q16539 2/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 1/20 0.33
F11 P03951 1/20 0.33
HPGD P15428 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
S1PR4 O95977 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 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
SCHEMBL67724 0.88 DGAT1 (0.41) MAPTDGAT1MAPK14
SCHEMBL84704 0.84 ABL1 (0.44)
SCHEMBL87554 0.81 DGAT1 (0.34) MAPTDGAT1
SCHEMBL84698 0.81 KDM4E (0.37) MAPTDGAT1MAPK14KDM4EHSD17B10
SCHEMBL1494600 0.80 DGAT1 (0.33) MAPTDGAT1MAPK14
SCHEMBL1494466 0.79 MAPT (0.31) MAPTDGAT1
SCHEMBL1494638 0.78 MAPK10 (0.31) MAPTDGAT1MAPK14
SCHEMBL5116755 0.78 KDM4E (0.46) MAPTDGAT1KDM4EHSD17B10HPGD
SCHEMBL67447 0.78 DGAT1 (0.40) MAPTDGAT1KDM4EHSD17B10F11
SCHEMBL30847363 0.74 MAPT (0.40) MAPTDGAT1MAPK14F11

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 MAPT 3320/4885DGAT1 3367/4885MAPK14 484/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS MAPT 4170/4885DGAT1 2240/4885MAPK14 218/4885

“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.