SCHEMBL10099446

SCHEMBL10099446

C[C@@H]1CCN(c2ccc(C#N)cn2)C[C@@H]1n1ccc2cnc3[nH]ccc3c21

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.67
JAK2 O60674 18/20 0.67
JAK1 P23458 13/20 0.67
KCNH2 Q12809 2/20 0.54
TYK2 P29597 5/20 0.50
CHEK1 O14757 1/20 0.47
NTRK1 P04629 1/20 0.47
PRKCA P17252 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
MAPK10 P53779 1/20 0.47
CCNA1 P78396 1/20 0.47
MAP3K9 P80192 1/20 0.47
PRKCQ Q04759 1/20 0.47
ROCK1 Q13464 1/20 0.47
CAMK2A Q9UQM7 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
SCHEMBL10099444 0.88 JAK2 (0.61) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL10090081 0.85 JAK3 (0.54) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL13398383 0.81 JAK3 (0.70) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL2102284 0.80 JAK2 (1.00) JAK3JAK2JAK1KCNH2
SCHEMBL10099445 0.80 JAK2 (0.72) JAK3JAK2JAK1TYK2
SCHEMBL10099459 0.80 JAK2 (0.60) JAK3JAK2JAK1TYK2
SCHEMBL9918463 0.76 JAK3 (0.64) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL10099437 0.76 JAK2 (0.68) JAK3JAK2JAK1TYK2
SCHEMBL13398328 0.76 JAK3 (0.61) JAK3JAK2JAK1KCNH2TYK2
SCHEMBL2106026 0.76 JAK2 (0.89) JAK3JAK2JAK1KCNH2

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.