SCHEMBL3017173

SCHEMBL3017173

C[Si](C)(C)CCOCn1ccc(-c2ccc(N)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
CYP19A1 P11511 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GFER P55789 1/20 0.33
ALOX5AP P20292 3/20 0.32
FEN1 P39748 3/20 0.32
DGAT1 O75907 1/20 0.32
TP53 P04637 1/20 0.31
TLR8 Q9NR97 1/20 0.31
SCN4A P35499 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL26453175 0.87 KMT2A (0.45) KEAP1CYP19A1SMN1; SMN2MAPTRAB9A
SCHEMBL1441485 0.86 DGAT1 (0.36) KEAP1CYP19A1SMN1; SMN2MAPTRAB9A
SCHEMBL30944234 0.86 SCN4A (0.46) CYP19A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL29445621 0.83 CYP19A1 (0.34) KEAP1CYP19A1SMN1; SMN2MAPTRAB9A
SCHEMBL23205956 0.82 ALOX5AP (0.39) KEAP1SMN1; SMN2MAPTNPC1KMT2A
SCHEMBL401354 0.80 ALDH1A1 (0.39) NPC1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3024392 0.80 SCN4A (0.44) SMN1; SMN2MAPTRAB9ANPC1LMNA
SCHEMBL1366764 0.80 DGAT1 (0.33) CYP19A1SMN1; SMN2MAPTNPC1L3MBTL1
SCHEMBL1441484 0.78 LIPG (0.40) DGAT1
SCHEMBL1442642 0.76 LPL (0.31) DGAT1

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-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
CN-101679440-A Pyrrolopyrimidine derivatives as jak3 inhibitors PALAU PHARMA SA 2010-03-24 CN disclosed
EP-2118105-A1 PURINE DERIVATIVES Palau Pharma, S.A. (ES) 2009-11-18 EP disclosed
WO-2008090181-A1 PURINE DERIVATIVES PALAU PHARMA, S. A. (ES) 2008-07-31 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 (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-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 KEAP1 3853/4885CYP19A1 4012/4885SMN1; SMN2 3941/4885

“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.