SCHEMBL20150222

SCHEMBL20150222

C[Si](C)(C)CCOCn1nc([N+](=O)[O-])cc1I

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 2/20 0.32
DGAT1 O75907 2/20 0.31
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
LMNA P02545 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
SCHEMBL168484 0.85 GAA (0.37) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL31074506 0.85 GAA (0.46) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL25746423 0.83 GAA (0.35) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL174551 0.83 GAA (0.35) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL25746426 0.82 GAA (0.37) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL20150224 0.81 GAA (0.34) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL25746422 0.79 GAA (0.40) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL29457783 0.77 GAA (0.39) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL25408348 0.76 DGAT1 (0.34) DGAT1
SCHEMBL29644058 0.75 CNR2 (0.39) ALDH1A1MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112812105-A Aminopyridyloxypyrazole derivative and preparation method and application thereof 苏州阿尔脉生物科技有限公司 2021-05-18 CN disclosed
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-07 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885ALDH1A1 4827/4885MEN1 2491/4885
US-20180155349-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 GAA 1899/4885ALDH1A1 4827/4885MEN1 2491/4885

“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.