SCHEMBL566544

SCHEMBL566544

Cc1cc2cnc3c(ccn3COCC[Si](C)(C)C)c2n1[C@H]1CN(Cc2ccccc2)CC[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
TYK2 P29597 1/20 0.38
SCN9A Q15858 17/20 0.36
SCN5A Q14524 9/20 0.36
KCNH2 Q12809 5/20 0.36
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL566656 0.87 JAK2 (0.43) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL16477542 0.82 JAK2 (0.46) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL14708549 0.81 JAK2 (0.40) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL14708547 0.79 JAK2 (0.40) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL18362951 0.79 SCN9A (0.38) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL16477545 0.79 SCN9A (0.38) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL10099139 0.78 SCN9A (0.42) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL14708584 0.77 JAK2 (0.37) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL16477554 0.76 JAK2 (0.45) JAK2JAK1JAK3TYK2SCN9A
SCHEMBL16477544 0.75 SCN9A (0.39) JAK1SCN9ASCN5AKCNH2

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 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.