SCHEMBL566900

SCHEMBL566900

C[C@@H]1CCN(C(=O)NCC#N)C[C@@H]1n1ccc2cnc3[nH]ccc3c21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.80
JAK3 P52333 19/20 0.80
JAK1 P23458 15/20 0.80
TYK2 P29597 5/20 0.60
MAP4K3 Q8IVH8 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
DCLK1 O15075 1/20 0.45
ROCK2 O75116 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
RET P07949 1/20 0.45
PRKCA P17252 1/20 0.45
MARK3 P27448 1/20 0.45
KDR P35968 1/20 0.45
MAP2K1 Q02750 1/20 0.45
PRKCD Q05655 1/20 0.45
TNK2 Q07912 1/20 0.45
PDE4D Q08499 1/20 0.45
DMPK Q09013 1/20 0.45

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
SCHEMBL566901 1.00 JAK2 (0.80) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL30398563 0.89 JAK3 (1.00) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL566711 0.89 JAK3 (1.00) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL566570 0.89 JAK3 (1.00) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL10099432 0.87 JAK3 (0.84) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL10099430 0.86 JAK3 (0.67) JAK2JAK3JAK1TYK2
SCHEMBL13142900 0.86 JAK2 (0.77) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL10099388 0.86 JAK3 (0.76) JAK2JAK3JAK1TYK2MAP4K3
SCHEMBL10090064 0.85 JAK2 (0.65) JAK2JAK3JAK1TYK2ROCK2
SCHEMBL10099382 0.85 JAK3 (0.65) JAK2JAK3JAK1TYK2

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.