SCHEMBL10099388

SCHEMBL10099388

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.76
JAK2 O60674 18/20 0.76
JAK1 P23458 14/20 0.76
TYK2 P29597 4/20 0.57
ROCK2 O75116 2/20 0.47
MARK3 P27448 2/20 0.47
PRKCD Q05655 2/20 0.47
STK3 Q13188 2/20 0.47
ROCK1 Q13464 2/20 0.47
CAMK2D Q13557 2/20 0.47
PKN2 Q16513 2/20 0.47
LRRK2 Q5S007 2/20 0.47
MARK2 Q7KZI7 2/20 0.47
MAP4K3 Q8IVH8 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
DCLK1 O15075 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
RET P07949 1/20 0.47

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
SCHEMBL13142900 0.93 JAK2 (0.77) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL566570 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL30398563 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL566711 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL566901 0.86 JAK2 (0.80) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL566900 0.86 JAK2 (0.80) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL10099432 0.85 JAK3 (0.84) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL10099415 0.85 JAK3 (0.78) JAK3JAK2JAK1TYK2ROCK2
SCHEMBL10090082 0.84 JAK3 (0.74) JAK3JAK2JAK1TYK2
SCHEMBL2105305 0.82 JAK2 (0.77) JAK3JAK2JAK1TYK2

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 JAK3 3/4885JAK2 1/4885JAK1 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.