SCHEMBL10099381

SCHEMBL10099381

C[C@@H]1CCN(c2cnc(C#N)cn2)C[C@@H]1n1ccc2cnc3[nH]cc(C#N)c3c21

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.64
JAK3 P52333 10/20 0.64
JAK1 P23458 7/20 0.64
ROCK2 O75116 8/20 0.38
ROCK1 Q13464 8/20 0.38
CDC42BPB Q9Y5S2 8/20 0.38
TYK2 P29597 3/20 0.37
CDC42BPA Q5VT25 4/20 0.36
CHUK O15111 1/20 0.36
RET P07949 1/20 0.36

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 0.84 JAK2 (0.61) JAK2JAK3JAK1TYK2
SCHEMBL10099360 0.78 JAK2 (0.64) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL10099361 0.78 JAK2 (0.64) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL566639 0.78 JAK3 (1.00) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL574987 0.78 JAK3 (1.00) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL10099449 0.77 JAK3 (0.82) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL10099415 0.75 JAK3 (0.78) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL10099453 0.73 JAK3 (0.76) JAK2JAK3JAK1ROCK2ROCK1
SCHEMBL10099446 0.72 JAK3 (0.67) JAK2JAK3JAK1ROCK1TYK2
SCHEMBL566425 0.69 JAK3 (0.83) JAK2JAK3JAK1ROCK2ROCK1

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 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.