SCHEMBL566639

SCHEMBL566639

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00
JAK2 O60674 17/20 1.00
JAK1 P23458 12/20 1.00
TYK2 P29597 4/20 0.57
ROCK1 Q13464 3/20 0.46
PKN2 Q16513 3/20 0.46
LRRK2 Q5S007 3/20 0.46
LCK P06239 2/20 0.46
RET P07949 2/20 0.46
KDR P35968 2/20 0.46
CAMK1D Q8IU85 2/20 0.46
PRKACA P17612 1/20 0.46
LTK P29376 1/20 0.46
GSK3A P49840 1/20 0.46
PRKX P51817 1/20 0.46
ROCK2 O75116 2/20 0.44
MARK3 P27448 2/20 0.44
PRKCD Q05655 2/20 0.44
STK3 Q13188 2/20 0.44
CAMK2D Q13557 2/20 0.44

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
SCHEMBL574987 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566425 0.91 JAK3 (0.83) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566891 0.91 JAK3 (0.83) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099449 0.90 JAK3 (0.82) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099415 0.88 JAK3 (0.78) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099453 0.87 JAK3 (0.76) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566711 0.84 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL566570 0.84 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL30398563 0.84 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL10099369 0.83 JAK3 (0.71) JAK3JAK2JAK1TYK2ROCK1

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 5 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 claimed
US-20120034250-A1 CONDENSED PYRROLOPYRIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-02-09 US claimed
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 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.