SCHEMBL14701092

SCHEMBL14701092

C[Si](C)(C)CCOCn1c(-c2ccccc2)nc(-c2ccncc2)c1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
PDE4B Q07343 1/20 0.42
CFTR P13569 5/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.39
PGR P06401 2/20 0.39
TEK Q02763 2/20 0.39
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16497606 0.92 KMT2A (0.43) CFTRMAPTNPC1RAB9AALDH1A1
SCHEMBL2145931 0.84 TEK (0.39) MAPTNPC1CYP3A4ALOX5TEK
SCHEMBL14690185 0.83 MAPK14 (0.41) MAPTNPC1TEKMEN1KMT2A
SCHEMBL14701090 0.81 MAPK14 (0.43) TEKGAAMEN1KMT2A
SCHEMBL16510873 0.81 MEN1 (0.39) MAPTNPC1ALDH1A1ALOX5TEK
SCHEMBL16497623 0.81 MEN1 (0.40) MAPTRAB9AALDH1A1TEKSMN1; SMN2
SCHEMBL2148593 0.80 CYP1A2 (0.43) MAPTNPC1CYP1A2CYP3A4CYP2C9
SCHEMBL16497631 0.80 MEN1 (0.45) MAPTNPC1TEKMEN1KMT2A
SCHEMBL16497629 0.80 BRAF (0.44) MAPTTEKMEN1KMT2A
SCHEMBL12461979 0.80 TEK (0.37) PDE4BMAPTNPC1TEKGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040983-A1 RAF KINASE INHIBITORS RUGA CORPORATION 2013-02-14 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 (1 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-20130040983-A1 RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE4D 1769/4885PDE4B 1286/4885CFTR 781/4885

“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.