SCHEMBL2055151

SCHEMBL2055151

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2nnc(-c3ccccc3)o2)c2cnc3[nH]ccc3c21

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.48
JAK2 O60674 16/20 0.48
JAK3 P52333 13/20 0.48
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYK2 P29597 3/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.36
AURKA O14965 1/20 0.36
PRKCA P17252 1/20 0.36
KDR P35968 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
SCHEMBL2055169 0.88 JAK1 (0.52) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055158 0.88 JAK1 (0.46) JAK1JAK2JAK3TSHRNPSR1
SCHEMBL2055152 0.88 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055095 0.85 JAK1 (0.47) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055154 0.85 JAK1 (0.47) JAK1JAK2JAK3TYK2RAB9A
SCHEMBL2104864 0.84 JAK1 (0.56) JAK1JAK2JAK3TYK2
SCHEMBL2055167 0.83 JAK1 (0.49) JAK1JAK2JAK3TYK2AURKA
SCHEMBL2055129 0.82 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL2055163 0.82 JAK1 (0.48) JAK1JAK2JAK3TYK2
SCHEMBL14628874 0.82 JAK1 (0.47) JAK1JAK2JAK3HTTTYK2

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 5 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
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO 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.