SCHEMBL14507329

SCHEMBL14507329

Cn1cc(-c2cnc3c(Nc4cc(C5CCN(C(=O)OC(C)(C)C)C5)ns4)nccn23)cn1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 15/20 0.66
▸ AURKB Q96GD4 15/20 0.66
▸ USP30 Q70CQ3 1/20 0.40
▸ IRAK1 P51617 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ LCK P06239 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL8246690 0.95 AURKA (0.70) AURKAAURKBUSP30CHEK1GPR119
SCHEMBL12404510 0.90 AURKA (0.67) AURKAAURKBCHEK1LCKKDR
SCHEMBL14538650 0.89 AURKA (0.72) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404508 0.89 AURKA (0.71) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404515 0.87 AURKA (0.64) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404514 0.86 AURKB (0.71) AURKAAURKBCHEK1LCKKDR
SCHEMBL12404517 0.85 AURKA (0.68) AURKAAURKBCHEK1LCKKDR
SCHEMBL14538376 0.83 AURKB (0.74) AURKAAURKBCHEK1LCKKDR
SCHEMBL8247165 0.83 AURKA (0.74) AURKAAURKBCHEK1LCKKDR
SCHEMBL8240362 0.82 AURKB (0.88) AURKAAURKBCHEK1LCK

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
WO-2007058942-A2 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2007-05-24 — — WO disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
US-20070117804-A1 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION 2007-05-24 — — US disclosed
WO-2007056468-A1 METHODS FOR INHIBITING PROTEIN KINASES SCHERING CORPORATION (US) 2007-05-18 — — WO disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — US disclosed
US-20070105864-A1 Methods for inhibiting protein kinases SCHERING CORPORATION 2007-05-10 — — 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 (2 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-20070117804-A1 Imidazopyrazines as protein kinase inhibitors CHEK1, CHEK2, CDKN1A AURKA 41/4885AURKB 138/4885USP30 1066/4885
US-20070105864-A1 Methods for inhibiting protein kinases PIM1, PIM2, PIM3 AURKA 5/4885AURKB 24/4885USP30 2267/4885

“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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