SCHEMBL10099320

SCHEMBL10099320

C[C@@H]1[C@H](n2ccc3cnc4c(ccn4COCC[Si](C)(C)C)c32)CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 2/20 0.38
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35

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
SCHEMBL10099185 0.80 TSHR (0.37) PREPTSHRL3MBTL1DGAT1
SCHEMBL10099174 0.78 TSHR (0.36) PREPTSHRL3MBTL1DGAT1
SCHEMBL16477552 0.78 JAK2 (0.42) DGAT1
SCHEMBL10099290 0.78 JAK2 (0.33) DGAT1
SCHEMBL566656 0.77 JAK2 (0.43)
SCHEMBL566460 0.77 JAK2 (0.46) DGAT1
SCHEMBL566461 0.77 JAK2 (0.46) DGAT1
SCHEMBL15209411 0.77 ADRA1D (0.39) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL10099143 0.76 SCN9A (0.40)
SCHEMBL10099139 0.76 SCN9A (0.42)

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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 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-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE JAK2, JAK1, JAK3 PREP 256/4885TSHR 4026/4885L3MBTL1 4102/4885

“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.