SCHEMBL3316458

SCHEMBL3316458

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1n1nc(N)c2cnc3[nH]ccc3c21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.70
JAK2 O60674 16/20 0.70
JAK1 P23458 14/20 0.68
TYK2 P29597 6/20 0.68
ROCK1 Q13464 3/20 0.56
PKN2 Q16513 3/20 0.56
LRRK2 Q5S007 3/20 0.56
ROCK2 O75116 2/20 0.56
MARK3 P27448 2/20 0.56
PRKCD Q05655 2/20 0.56
STK3 Q13188 2/20 0.56
CAMK2D Q13557 2/20 0.56
MARK2 Q7KZI7 2/20 0.56
LCK P06239 2/20 0.56
RET P07949 2/20 0.56
KDR P35968 2/20 0.56
CAMK1D Q8IU85 2/20 0.56
MAP4K3 Q8IVH8 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
DCLK1 O15075 1/20 0.56

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
SCHEMBL3314617 0.88 JAK3 (0.67) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL3310947 0.88 JAK3 (0.67) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL9918456 0.86 JAK3 (0.59) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL12833308 0.86 JAK3 (0.59) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL13398227 0.86 JAK3 (0.65) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL13398199 0.84 JAK3 (0.62) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL3314418 0.83 JAK3 (0.61) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL565478 0.82 JAK3 (1.00) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL3314943 0.82 JAK3 (0.71) JAK3JAK2JAK1TYK2ROCK1
SCHEMBL13398212 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US claimed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 US disclosed
US-20100105661-A1 CONDENSED PYRIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-29 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-20100105661-A1 CONDENSED PYRIDINE COMPOUND JAK3, IRAK3, JAK1 JAK3 1/4885JAK2 5/4885JAK1 3/4885

“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.