SCHEMBL2586032

SCHEMBL2586032

Cn1cc(Nc2ncc3cnn(C4CCCN(C(=O)OC(C)(C)C)C4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 14/20 0.49
CDK1 P06493 14/20 0.49
AURKB Q96GD4 14/20 0.49
EGFR P00533 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
CDK2 P24941 1/20 0.44
JAK3 P52333 3/20 0.43
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
TYK2 P29597 2/20 0.43

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
SCHEMBL2587928 0.89 AURKA (0.49) AURKACDK1AURKBEGFRCDK4
SCHEMBL14957671 0.85 JAK3 (0.46) EGFRCDK4CCND1CCND2CCND3
SCHEMBL12174908 0.82 JAK1 (0.53) AURKACDK1AURKBJAK3JAK2
SCHEMBL12361587 0.81 CDK2 (0.42) EGFRCDK4CCND1CCND2CCND3
SCHEMBL2595420 0.78 AURKA (0.64) AURKACDK1AURKBJAK2JAK1
SCHEMBL2585170 0.78 AURKA (0.64) AURKACDK1AURKBJAK2JAK1
SCHEMBL12639344 0.77 CDK4 (0.69) AURKACDK1AURKBEGFRCDK4
SCHEMBL1355734 0.77 CDK4 (0.69) AURKACDK1AURKBEGFRCDK4
SCHEMBL14957826 0.75 JAK3 (0.46) AURKACDK1AURKBEGFRJAK3
SCHEMBL343480 0.74 AURKA (0.58) AURKACDK1AURKBCDK4CCND1

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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
EP-2566867-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS Cellzome Limited (GB) 2013-03-13 EP disclosed
WO-2011134831-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-11-03 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-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS JAK1, JAK3, JAK2 AURKA 406/4885CDK1 26/4885AURKB 286/4885

“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.