SCHEMBL2587928

SCHEMBL2587928

Cn1cc(Nc2ncc3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
CDK1 P06493 7/20 0.49
AURKB Q96GD4 7/20 0.49
EGFR P00533 1/20 0.48
NR3C1 P04150 2/20 0.47
JAK2 O60674 5/20 0.47
JAK3 P52333 5/20 0.47
JAK1 P23458 4/20 0.47
TYK2 P29597 3/20 0.47
PTK2 Q05397 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
GPR119 Q8TDV5 3/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL2586032 0.89 AURKA (0.49) AURKACDK1AURKBEGFRJAK2
SCHEMBL341737 0.84 EGFR (0.65) AURKACDK1EGFRNR3C1JAK2
SCHEMBL343675 0.81 CCND3 (0.51) AURKACDK1AURKBEGFRNR3C1
SCHEMBL14958071 0.80 JAK1 (0.57) AURKACDK1AURKBJAK2JAK3
SCHEMBL342946 0.80 NR3C1 (0.55) AURKBNR3C1GPR119CYP3A4
SCHEMBL12639344 0.79 CDK4 (0.69) AURKACDK1AURKBEGFRJAK2
SCHEMBL1355734 0.79 CDK4 (0.69) AURKACDK1AURKBEGFRJAK2
SCHEMBL14957772 0.79 LRRK2 (0.60) AURKACDK1AURKBJAK2JAK3
SCHEMBL14957671 0.79 JAK3 (0.46) EGFRJAK2JAK3JAK1TYK2
SCHEMBL14957677 0.78 JAK1 (0.58) AURKACDK1AURKBJAK2JAK3

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.