SCHEMBL2055165

SCHEMBL2055165

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2nc3cc(Cl)ccc3o2)c2cnc3[nH]ccc3c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.47
JAK2 O60674 17/20 0.47
JAK3 P52333 9/20 0.47
TYK2 P29597 2/20 0.40
AURKA O14965 1/20 0.39
PRKCA P17252 1/20 0.39
KDR P35968 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37

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
SCHEMBL2055167 0.90 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055171 0.83 JAK1 (0.47) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055099 0.82 JAK1 (0.46) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055183 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055169 0.82 JAK1 (0.52) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2104864 0.80 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2055101 0.80 JAK1 (0.47) JAK1JAK2JAK3TYK2
SCHEMBL2055130 0.79 JAK3 (0.45) JAK1JAK2JAK3TYK2
SCHEMBL2105247 0.79 JAK1 (0.57) JAK1JAK2JAK3TYK2
SCHEMBL2055177 0.79 JAK1 (0.51) JAK1JAK2JAK3TYK2

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-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163767-B2 Heterocyclic Janus Kinase 3 inhibitors ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090264399-A1 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-10-22 US 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 JAK1 3/4885JAK2 2/4885JAK3 1/4885

“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.