SCHEMBL566875

SCHEMBL566875

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1n1ccc2cnc3c(c(CN(C)C)cn3COCC[Si](C)(C)C)c21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.38
JAK3 P52333 7/20 0.38
JAK1 P23458 5/20 0.38
TYK2 P29597 3/20 0.38
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
HPGD P15428 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 0.84 JAK2 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL14708546 0.81 JAK2 (0.44) JAK2JAK3JAK1TYK2
SCHEMBL14708544 0.80 JAK2 (0.43) JAK2JAK3JAK1TYK2
SCHEMBL16477546 0.80 JAK2 (0.43) JAK2JAK3JAK1TYK2DRD2
SCHEMBL10099452 0.77 JAK2 (0.51) JAK2JAK3JAK1TYK2DRD2
SCHEMBL16477542 0.77 JAK2 (0.46) JAK2JAK3JAK1TYK2
SCHEMBL566896 0.76 JAK2 (0.42) JAK2JAK3JAK1
SCHEMBL14708549 0.75 JAK2 (0.40) JAK2JAK3JAK1TYK2
SCHEMBL566544 0.74 JAK2 (0.38) JAK2JAK3JAK1TYK2ALDH1A1
SCHEMBL14708547 0.73 JAK2 (0.40) JAK2JAK3JAK1TYK2DRD2

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 1/4885JAK3 3/4885JAK1 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.