SCHEMBL566439

SCHEMBL566439

C[Si](C)(C)CCOCn1ccc2c(NC3CCN(Cc4ccccc4)C3)c(C=O)cnc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.43
ROCK2 O75116 2/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
OPRK1 P41145 1/20 0.41
SCN9A Q15858 6/20 0.40
SCN5A Q14524 2/20 0.40
KCNH2 Q12809 1/20 0.40
BCHE P06276 3/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
JAK2 O60674 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
MALT1 Q9UDY8 1/20 0.37
CXCR4 P61073 1/20 0.37
CCR2 P41597 1/20 0.37
ROCK1 Q13464 1/20 0.37

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
SCHEMBL10099181 0.96 JAK1 (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL10099180 0.93 JAK2 (0.45) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL566955 0.91 SCN9A (0.38) JAK1DRD2DRD4SCN9ASCN5A
SCHEMBL17350381 0.89 JAK1 (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL566930 0.86 ACHE (0.41) JAK1ROCK2OPRK1SCN9ASCN5A
SCHEMBL10099137 0.86 SCN9A (0.40) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL16477564 0.84 NSD2 (0.47) JAK1SCN9ASCN5AKCNH2BCHE
SCHEMBL22613451 0.84 KAT2B (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL22613453 0.84 KAT2B (0.42) JAK1ROCK2SCN9ASCN5AKCNH2
SCHEMBL14697191 0.83 JAK1 (0.51) JAK1SCN9ASCN5AKCNH2JAK2

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
EP-2420502-A1 FUSED PYRROLOPYRIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-02-22 EP disclosed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US disclosed
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 JAK1 2/4885ROCK2 1650/4885DRD2 1611/4885

“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.