SCHEMBL10099170

SCHEMBL10099170

CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.55
JAK1 P23458 5/20 0.48
JAK2 O60674 4/20 0.48
TYK2 P29597 4/20 0.48
JAK3 P52333 4/20 0.48
ADORA1 P30542 3/20 0.48
ADORA2A P29274 1/20 0.43

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
SCHEMBL10099172 0.97 PDE4B (0.52) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL14697191 0.91 JAK1 (0.51) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL14708561 0.90 JAK3 (0.57) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL1933112 0.87 PDE4B (0.58) PDE4BJAK1JAK3ADORA1ADORA2A
SCHEMBL10099181 0.84 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL10099187 0.84 JAK1 (0.42) JAK1JAK2TYK2JAK3
SCHEMBL20955984 0.84 JAK1 (0.44) PDE4BJAK1JAK2TYK2JAK3
SCHEMBL16477564 0.84 NSD2 (0.47) JAK1JAK2TYK2JAK3
SCHEMBL14697195 0.83 SCN9A (0.42) JAK1JAK2TYK2JAK3
SCHEMBL10099180 0.82 JAK2 (0.45) JAK1JAK2TYK2JAK3

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 PDE4B 2241/4885JAK1 2/4885JAK2 1/4885

“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.