SCHEMBL13595268

SCHEMBL13595268

COC1CCN(C(=O)c2ccc(Nc3nccc(-c4cnn(C(CN)C5CCOCC5)c4)n3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.44
▸ CHUK O15111 7/20 0.44
▸ IKBKG Q9Y6K9 7/20 0.44
▸ JAK2 O60674 5/20 0.42
▸ SYK P43405 1/20 0.42
▸ JAK3 P52333 4/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ CDK1 P06493 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CCNK O75909 2/20 0.41
▸ CDK12 Q9NYV4 2/20 0.41
▸ PLK4 O00444 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ MYLK4 Q86YV6 1/20 0.40
▸ STK17A Q9UEE5 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ NCOR1 O75376 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL13846272 0.96 CDK1 (0.43) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL13846212 0.92 JAK2 (0.48) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL13846262 0.91 JAK2 (0.44) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL3712190 0.91 JAK2 (0.46) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL13846266 0.89 JAK2 (0.44) IKBKBCHUKIKBKGJAK2SYK
SCHEMBL13846361 0.89 CDK1 (0.43) IKBKBCHUKIKBKGJAK2JAK3
SCHEMBL3709533 0.87 JAK2 (0.45) JAK2JAK3JAK1CDK1CDK2
SCHEMBL3313952 0.86 CDK2 (0.48) IKBKBCHUKIKBKGJAK2SYK
SCHEMBL13846365 0.86 JAK2 (0.43) JAK2JAK3JAK1CDK1CDK2
SCHEMBL2355841 0.84 CDK2 (0.51) IKBKBCHUKIKBKGJAK2JAK3

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-8309718-B2 4-pyrazolyl-N-arylpyrimidin-2-amines and 4-pyrazolyl-N-heteroarylpyrimidin-2-amines as janus kinase inhibitors INCYTE CORPORATION (US) 2012-11-13 — — US disclosed
US-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-12-24 — — US disclosed
WO-2009064835-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-05-22 — — 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-20090318405-A1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 IKBKB 357/4885CHUK 78/4885IKBKG 587/4885

“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.

Send feedback