SCHEMBL4411226

SCHEMBL4411226

CC[C@H](NC(=O)c1ccc(Nc2nccc(-c3cnn(C(CC#N)C4CCCC4)c3)n2)cc1)C(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ JAK2 O60674 16/20 0.47
▸ JAK1 P23458 13/20 0.47
▸ JAK3 P52333 11/20 0.47
▸ TYK2 P29597 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ STAT3 P40763 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ HDAC1 Q13547 2/20 0.43
▸ NEK3 P51956 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ NEK5 Q6P3R8 1/20 0.41
▸ MYLK4 Q86YV6 1/20 0.41
▸ STK17A Q9UEE5 1/20 0.41

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
SCHEMBL3311093 1.00 CCNE1 (0.50) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3310648 0.88 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3302295 0.85 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2359386 0.84 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3305064 0.84 CDK2 (0.52) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3306077 0.83 CCNE1 (0.54) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3309723 0.83 CDK2 (0.55) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3306946 0.83 CDK2 (0.52) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3306939 0.83 CDK2 (0.52) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2357804 0.83 CDK2 (0.51) CCNE1CDK2JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP disclosed
EP-2220068-B1 4-PYRAZOLYL-N-ARYLPYRIMIDIN-2-AMINES AND 4-PYRAZOLYL-N-HETEROARYLPYRIMIDIN-2-AMINES AS JANUS KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2016-01-27 — — EP disclosed
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-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-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
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
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 CCNE1 1514/4885CDK2 135/4885JAK2 2/4885

“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.

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