SCHEMBL10099137

SCHEMBL10099137

COC=Cc1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.40
SCN5A Q14524 3/20 0.40
KCNH2 Q12809 2/20 0.40
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
NSD2 O96028 2/20 0.38
EHMT2 Q96KQ7 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10099136 0.97 JAK2 (0.42) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL10099181 0.90 JAK1 (0.42) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL565492 0.89 SCN9A (0.36) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL565493 0.89 SCN9A (0.36) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL16477564 0.88 NSD2 (0.47) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL10099180 0.87 JAK2 (0.45) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL566439 0.86 JAK1 (0.43) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL10099187 0.85 JAK1 (0.42) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL14697195 0.85 SCN9A (0.42) SCN9ASCN5AKCNH2JAK2JAK1
SCHEMBL10099288 0.84 PDE5A (0.30)

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 SCN9A 3095/4885SCN5A 1019/4885KCNH2 1026/4885

“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.