SCHEMBL2105400

SCHEMBL2105400

C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ccnc2[nH]cnc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.59
JAK2 O60674 15/20 0.59
JAK1 P23458 11/20 0.59
TYK2 P29597 6/20 0.59
PKN2 Q16513 5/20 0.59
ROCK1 Q13464 4/20 0.59
LRRK2 Q5S007 4/20 0.59
ROCK2 O75116 3/20 0.59
PRKCD Q05655 3/20 0.59
STK3 Q13188 3/20 0.59
CAMK2D Q13557 3/20 0.59
LCK P06239 3/20 0.59
RET P07949 3/20 0.59
CAMK1D Q8IU85 3/20 0.59
MARK3 P27448 2/20 0.59
MARK2 Q7KZI7 2/20 0.59
DCLK1 O15075 2/20 0.59
ABL1 P00519 2/20 0.59
FYN P06241 2/20 0.59
DMPK Q09013 2/20 0.59

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
SCHEMBL353500 0.85 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062081 0.85 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2
SCHEMBL22418657 0.77 JAK1 (0.62) JAK3JAK2JAK1TYK2PKN2
SCHEMBL22418658 0.77 JAK1 (0.62) JAK3JAK2JAK1TYK2PKN2
SCHEMBL20435081 0.76 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2
SCHEMBL20435086 0.76 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2
SCHEMBL9918419 0.76 JAK3 (0.68) JAK3JAK2JAK1TYK2PKN2
SCHEMBL28285348 0.75 JAK3 (0.68) JAK3JAK2JAK1TYK2PKN2
SCHEMBL24200717 0.75 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2
SCHEMBL22418507 0.75 JAK3 (0.75) JAK3JAK2JAK1TYK2PKN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 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-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS JAK3, JAK2, JAK1 JAK3 1/4885JAK2 2/4885JAK1 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.