SCHEMBL10099453

SCHEMBL10099453

C[C@@H]1CCN(C(=O)Cn2cnnn2)C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c21

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.76
JAK2 O60674 15/20 0.76
JAK1 P23458 13/20 0.76
TYK2 P29597 2/20 0.45
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ROCK1 Q13464 2/20 0.35
LCK P06239 1/20 0.35
RET P07949 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
GSK3A P49840 1/20 0.35
PRKX P51817 1/20 0.35
PKN2 Q16513 1/20 0.35
LRRK2 Q5S007 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
CDC42BPB Q9Y5S2 2/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL566639 0.87 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL574987 0.87 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL567332 0.83 JAK2 (0.70) JAK3JAK2JAK1TYK2
SCHEMBL631763 0.83 JAK2 (0.70) JAK3JAK2JAK1TYK2
SCHEMBL566848 0.83 JAK2 (0.70) JAK3JAK2JAK1TYK2
SCHEMBL10099449 0.82 JAK3 (0.82) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099415 0.80 JAK3 (0.78) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566891 0.78 JAK3 (0.83) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566425 0.78 JAK3 (0.83) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099380 0.76 JAK2 (0.68) 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.