SCHEMBL2055099

SCHEMBL2055099

C[C@@H]1CCCC[C@@H]1n1c(=O)n(Cc2nc(-c3ccc(Cl)cc3)no2)c2cnc3[nH]ccc3c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.46
JAK2 O60674 6/20 0.46
JAK3 P52333 5/20 0.46
RAB9A P51151 2/20 0.42
MITF O75030 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT2B Q92831 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL2055154 0.92 JAK1 (0.47) JAK1JAK2JAK3RAB9AL3MBTL1
SCHEMBL2055139 0.82 JAK1 (0.47) JAK1JAK2JAK3RAB9ANPC1
SCHEMBL14628888 0.82 JAK1 (0.47) JAK1JAK2JAK3RAB9ANPC1
SCHEMBL2055165 0.82 JAK1 (0.47) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055117 0.81 JAK1 (0.45) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055156 0.80 JAK1 (0.44) JAK1JAK2JAK3PIK3CAMTOR
SCHEMBL2055164 0.80 JAK1 (0.44) JAK1JAK2JAK3LMNAAURKA
SCHEMBL2055169 0.80 JAK1 (0.52) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2055183 0.80 JAK1 (0.52) JAK1JAK2JAK3AURKAPRKCA
SCHEMBL2104864 0.79 JAK1 (0.56) JAK1JAK2JAK3

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.