SCHEMBL2250183

SCHEMBL2250183

N#CCC(C1CCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.96
JAK1 P23458 13/20 0.96
JAK3 P52333 7/20 0.96
ABL1 P00519 3/20 0.96
TYK2 P29597 3/20 0.96
DAPK3 O43293 2/20 0.96
PAK4 O96013 2/20 0.96
RET P07949 2/20 0.96
LTK P29376 2/20 0.96
CSNK1A1 P48729 2/20 0.96
CLK2 P49760 2/20 0.96
TNK2 Q07912 2/20 0.96
ROCK1 Q13464 2/20 0.96
DYRK1A Q13627 2/20 0.96
IKBKE Q14164 2/20 0.96
NTRK3 Q16288 2/20 0.96
NTRK2 Q16620 2/20 0.96
LRRK2 Q5S007 2/20 0.96
TAOK1 Q7L7X3 2/20 0.96
CAMK1D Q8IU85 2/20 0.96

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
SCHEMBL2258146 1.00 JAK2 (0.96) JAK2JAK1JAK3ABL1TYK2
SCHEMBL2250179 1.00 JAK2 (0.96) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL29808249 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL29349794 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL99225 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL171319 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL101279 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL29677353 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL31247553 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2
Ruxolitinib SCHEMBL26927158 0.98 JAK2 (1.00) JAK2JAK1JAK3ABL1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844317-B Cyclobutane and methylcyclobutane derivatives as janus kinase inhibitors INCYTE CORP 2015-06-03 CN claimed
US-20150087662-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-03-26 US claimed
EP-2536729-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-12-26 EP claimed
CN-102844317-A Cyclobutane and methylcyclobutane derivatives as janus kinase inhibitors INCYTE CORP 2012-12-26 CN claimed
WO-2011103423-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 WO claimed
US-20110207754-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 US claimed
CN-102844317-B Cyclobutane and methylcyclobutane derivatives as janus kinase inhibitors INCYTE CORP 2015-06-03 CN disclosed
US-20150087662-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-03-26 US disclosed
US-20150087662-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-03-26 US disclosed
US-20150087662-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2015-03-26 US disclosed
EP-2536729-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2012-12-26 EP disclosed
CN-102844317-A Cyclobutane and methylcyclobutane derivatives as janus kinase inhibitors INCYTE CORP 2012-12-26 CN disclosed
WO-2011103423-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 WO disclosed
WO-2011103423-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 WO disclosed
US-20110207754-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 US disclosed
US-20110207754-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 US disclosed
US-20110207754-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2011-08-25 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 (2 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-20150087662-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 3/4885
US-20110207754-A1 CYCLOBUTANE AND METHYLCYCLOBUTANE DERIVATIVES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885JAK3 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.