SCHEMBL10099307

SCHEMBL10099307

C[Si](C)(C)CCOCn1ccc2c(NC3C4CC5CC(C4)CC3C5)c(CO)cnc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10099303 0.85 JAK2 (0.32) KLKB1JAK2JAK1JAK3
SCHEMBL566462 0.85 JAK2 (0.33) JAK2JAK1JAK3
SCHEMBL566463 0.85 JAK2 (0.33) JAK2JAK1JAK3
SCHEMBL14697518 0.83 PDE4B (0.35) LMNASMN1; SMN2
SCHEMBL10099289 0.83
SCHEMBL10099300 0.83 PDE4B (0.42) JAK2JAK1JAK3
SCHEMBL10099305 0.81 JAK2 (0.34) JAK2JAK1JAK3LMNASMN1; SMN2
SCHEMBL10099187 0.77 JAK1 (0.42) JAK2JAK1JAK3LMNA
SCHEMBL14708344 0.76 JAK3 (0.45) JAK2JAK1JAK3
SCHEMBL17350175 0.76 JAK3 (0.45) JAK2JAK1JAK3

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 KLKB1 1787/4885JAK2 1/4885JAK1 2/4885

“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.