SCHEMBL4416664

SCHEMBL4416664

CCOc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cnn(C(CC#N)C2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 2/20 0.58
▸ CDK2 P24941 2/20 0.58
▸ JAK2 O60674 15/20 0.58
▸ JAK1 P23458 12/20 0.58
▸ JAK3 P52333 11/20 0.58
▸ TYK2 P29597 5/20 0.58
▸ STAT3 P40763 3/20 0.58
▸ ABL1 P00519 3/20 0.58
▸ GSK3B P49841 2/20 0.58
▸ AURKB Q96GD4 2/20 0.58
▸ KDR P35968 1/20 0.58
▸ LRRK2 Q5S007 3/20 0.45
▸ DAPK3 O43293 2/20 0.45
▸ PAK4 O96013 2/20 0.45
▸ RET P07949 2/20 0.45
▸ LTK P29376 2/20 0.45
▸ CSNK1A1 P48729 2/20 0.45
▸ CLK2 P49760 2/20 0.45
▸ TNK2 Q07912 2/20 0.45
▸ ROCK1 Q13464 2/20 0.45

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
SCHEMBL2358623 0.93 CCNE1 (0.59) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2356208 0.89 CCNE1 (0.73) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3308989 0.84 CCNE1 (0.57) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2358356 0.83 JAK2 (0.55) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2357638 0.82 CCNE1 (0.57) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2358412 0.82 JAK2 (0.55) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3314144 0.81 CCNE1 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2357693 0.81 CCNE1 (0.72) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL2356388 0.81 JAK2 (0.58) CCNE1CDK2JAK2JAK1JAK3
SCHEMBL3310841 0.80 CCNE1 (0.59) 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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