SCHEMBL13595260

SCHEMBL13595260

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ JAK2 O60674 15/20 0.45
▸ JAK1 P23458 12/20 0.45
▸ JAK3 P52333 11/20 0.45
▸ TYK2 P29597 4/20 0.45
▸ ABL1 P00519 3/20 0.45
▸ STAT3 P40763 2/20 0.45
▸ GSK3B P49841 2/20 0.45
▸ AURKB Q96GD4 2/20 0.45
▸ KDR P35968 1/20 0.45
▸ CCNK O75909 1/20 0.41
▸ CDK12 Q9NYV4 1/20 0.41
▸ HDAC1 Q13547 1/20 0.38
▸ IKBKE Q14164 3/20 0.38
▸ DAPK3 O43293 2/20 0.38
▸ PAK4 O96013 2/20 0.38
▸ RET P07949 2/20 0.38
▸ LTK P29376 2/20 0.38
▸ CSNK1A1 P48729 2/20 0.38

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
SCHEMBL3310648 0.85 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3307576 0.83 CCNE1 (0.50) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3302295 0.82 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2359386 0.82 CDK2 (0.56) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3312876 0.81 CCNE1 (0.51) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3312871 0.81 CCNE1 (0.51) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2357666 0.81 CDK2 (0.51) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3310525 0.80 CCNE1 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL4411226 0.80 CCNE1 (0.50) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3309930 0.80 CDK2 (0.50) 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 2 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

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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