SCHEMBL2585170

SCHEMBL2585170

Cn1cc(Nc2ncc3cnn(C4CCCCC4)c3n2)cn1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 19/20 0.64
CDK1 P06493 19/20 0.64
AURKB Q96GD4 4/20 0.64
CCNB1 P14635 15/20 0.59
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
TYK2 P29597 1/20 0.48

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
SCHEMBL2595420 1.00 AURKA (0.64) AURKACDK1AURKBCCNB1CYP3A4
SCHEMBL14957677 0.88 JAK1 (0.58) AURKACDK1AURKBCCNB1JAK2
SCHEMBL2589195 0.88 JAK2 (0.52) AURKACDK1AURKBCCNB1CYP3A4
SCHEMBL2589136 0.87 AURKA (0.51) AURKACDK1AURKBCCNB1JAK2
SCHEMBL14957880 0.87 AURKA (0.51) AURKACDK1AURKBCCNB1JAK2
SCHEMBL12174882 0.87 AURKA (0.51) AURKACDK1AURKBCCNB1JAK2
SCHEMBL14957455 0.86 AURKA (0.50) AURKACDK1AURKBCCNB1JAK2
SCHEMBL12174914 0.85 AURKA (0.48) AURKACDK1AURKBCCNB1JAK2
SCHEMBL14958030 0.85 AURKA (0.48) AURKACDK1AURKBCCNB1JAK2
SCHEMBL14958022 0.85 AURKA (0.48) AURKACDK1AURKBCCNB1JAK2

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 6 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 claimed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
US-20130131043-A1 PYRAZOLE COMPOUNDS AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-05-23 US disclosed
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.